SCHEMBL278053

SCHEMBL278053

Cc1ccc(C)c(-c2cc(F)ccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.41
ACHE P22303 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIM1 P11309 1/20 0.39
SRC P12931 1/20 0.39
GSK3A P49840 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.37
KIF11 P52732 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ABL1 P00519 1/20 0.36
SLC9A1 P19634 1/20 0.36
PMM2 O15305 2/20 0.36
MPI P34949 2/20 0.36
PHOSPHO1 Q8TCT1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 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
SCHEMBL22819943 1.00 NISCH (0.41) NISCHACHETDP1L3MBTL1PIM1
SCHEMBL25488177 0.92 ACHE (0.48) NISCHACHETDP1MEN1KMT2A
SCHEMBL10304925 0.84 MEN1 (0.42) NISCHACHETDP1MEN1KMT2A
SCHEMBL29901001 0.82 NISCH (0.52) NISCHACHETDP1L3MBTL1PIM1
SCHEMBL30377758 0.82 NISCH (0.52) NISCHACHEABL1SLC9A1CA9
SCHEMBL13830012 0.82 NISCH (0.52) NISCHACHETDP1L3MBTL1PIM1
SCHEMBL9139591 0.82 NISCH (0.52) NISCHACHEABL1SLC9A1CA9
SCHEMBL13652436 0.82 ACHE (0.42) NISCHACHETDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL29900999 0.80 NISCH (0.50) NISCHACHETDP1L3MBTL1PIM1
SCHEMBL24005592 0.78 TSHR (0.42) NISCHTDP1L3MBTL1PIM1SRC

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 185 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-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
WO-2004106333-A1 AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-12-09 WO disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
WO-2004089892-A2 DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2004-10-21 WO 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 (13 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 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B NISCH 1605/4885ACHE 1014/4885TDP1 3978/4885
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
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 NISCH 2756/4885ACHE 534/4885TDP1 4437/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B NISCH 2244/4885ACHE 1413/4885TDP1 4436/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRA2B, ADRB2, ADRB1 NISCH 2607/4885ACHE 348/4885TDP1 4373/4885
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 NISCH 2978/4885ACHE 604/4885TDP1 3092/4885
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 NISCH 3307/4885ACHE 811/4885TDP1 4506/4885

“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.