SCHEMBL277417

SCHEMBL277417

Cc1ccc(C)c(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.49
NUDT1 P36639 4/20 0.47
S1PR4 O95977 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ELANE P08246 1/20 0.38
P2RX7 Q99572 3/20 0.38
PBRM1 Q86U86 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
NOTUM Q6P988 1/20 0.36
IDO1 P14902 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
SCHEMBL277914 0.84 PLA2G7 (0.67) PLA2G7S1PR4KMT2AMEN1TP53
SCHEMBL277702 0.80 PBRM1 (0.44) PLA2G7S1PR4KMT2AMEN1TP53
SCHEMBL8819360 0.79 P2RX7 (0.46) PLA2G7NUDT1ELANEP2RX7NOTUM
SCHEMBL10343150 0.77 PLA2G7 (0.47) PLA2G7S1PR4KMT2AMEN1TP53
SCHEMBL848308 0.77 PLA2G7 (0.44) PLA2G7S1PR4KMT2AMEN1TP53
SCHEMBL197716 0.76 ALDH1A1 (0.52) S1PR4KMT2AMEN1TP53MAPT
SCHEMBL440943 0.76 TSHR (0.52) NUDT1P2RX7NOTUMIDO1
SCHEMBL277747 0.74 ELANE (0.52) PLA2G7S1PR4KMT2AMEN1TP53
SCHEMBL8817721 0.74 ACHE (0.42) NUDT1PBRM1PTGES2
SCHEMBL28219402 0.74 PLA2G7 (0.46) PLA2G7TP53MAPTELANEIDO1

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 115 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
WO-2005087737-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087738-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087763-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087735-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087733-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203138-A1 Biphenylylaminocarbonyl-amino- or -oxypiperidine derivatives, e.g., biphenyl-2-ylcarbamic acid 1-[2-((4-[(4-hydroxybenzylamino)methyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester; treating bronchodilation, asthma and chronic obstructive pulmonary disease (COPD) THERAVANCE, INC. 2005-09-15 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 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 PLA2G7 1488/4885NUDT1 2363/4885S1PR4 784/4885
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-20050203138-A1 Biphenylylaminocarbonyl-amino- or -oxypiperidine derivatives, e.g., biphenyl-2-ylcarbamic acid 1-[2-((4-[(4-hydroxybenzylamino)methyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester; treating bronchodilation, asthma and chronic obstructive pulmonary disease (COPD) CHRM1, CHRM2, CHRM3 PLA2G7 909/4885NUDT1 1315/4885S1PR4 374/4885
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 PLA2G7 1141/4885NUDT1 1728/4885S1PR4 487/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PLA2G7 1483/4885NUDT1 1323/4885S1PR4 543/4885
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 PLA2G7 1413/4885NUDT1 1312/4885S1PR4 632/4885

“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.