SCHEMBL277702

SCHEMBL277702

Cc1ccc(C)c(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 4/20 0.44
PLA2G7 Q13093 1/20 0.43
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR4 O95977 2/20 0.39
ACHE P22303 1/20 0.39
PTGES O14684 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 1/20 0.36
CYP2A6 P11509 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL848308 0.92 PLA2G7 (0.44) PBRM1PLA2G7MAPTMEN1TP53
SCHEMBL277658 0.84 HSP90AA1 (0.47) PBRM1MAPTMEN1KMT2AACHE
SCHEMBL699897 0.80 ALDH1A1 (0.46) MAPTMEN1KMT2AS1PR4ACHE
SCHEMBL14364369 0.80 AQP1 (0.42) PLA2G7ACHEFABP3FABP4RAB9A
SCHEMBL277417 0.80 PLA2G7 (0.49) PBRM1PLA2G7MAPTMEN1TP53
SCHEMBL277830 0.79 GRIA1 (0.47) PBRM1MAPTMEN1TP53KMT2A
SCHEMBL277914 0.79 PLA2G7 (0.67) PLA2G7MAPTMEN1TP53KMT2A
SCHEMBL10343150 0.76 PLA2G7 (0.47) PLA2G7MAPTMEN1TP53KMT2A
SCHEMBL5281695 0.76 PLA2G7 (0.47) PBRM1PLA2G7KMT2AACHEFABP3
SCHEMBL277611 0.75 ACHE (0.41) PBRM1MAPTMEN1TP53KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-15 US disclosed
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-17 US disclosed
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-02-25 US disclosed
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-07-09 US disclosed
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-14 US disclosed
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-10-23 US disclosed
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-28 US disclosed
US-9926272-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-03-27 US disclosed
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-20 US disclosed
US-9452161-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-09-27 US disclosed
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
WO-2005051946-A2 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2005-06-09 WO disclosed
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
WO-2004074812-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2004-09-02 WO disclosed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
WO-2004074246-A2 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B PBRM1 3419/4885PLA2G7 1738/4885MAPT 4287/4885
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB1, ADRB2, ADRA2B PBRM1 1771/4885PLA2G7 1323/4885MAPT 4588/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B PBRM1 3259/4885PLA2G7 726/4885MAPT 3864/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRA2B, ADRB2, ADRB1 PBRM1 2069/4885PLA2G7 1851/4885MAPT 2552/4885
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PBRM1 502/4885PLA2G7 1413/4885MAPT 4020/4885
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation ADRA2C, ADRB2, AHR PBRM1 2517/4885PLA2G7 1075/4885MAPT 4735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.