SCHEMBL3109602

SCHEMBL3109602

Cc1cccc2[nH]c(Cl)nc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 15/20 0.60
GAA P10253 15/20 0.60
SI P14410 15/20 0.60
MGAM2 Q2M2H8 15/20 0.60
ESR1 P03372 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CBFB Q13951 1/20 0.50
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30166984 1.00 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL353891 0.79 PARP1 (0.56) MGAMGAASIMGAM2ESR1
SCHEMBL66295 0.79 PSMB8 (0.59) MGAMGAASIMGAM2NPC1
SCHEMBL1170892 0.79 MGAM (0.71) MGAMGAASIMGAM2ESR1
Bromide SCHEMBL5318091 0.78 PARP1 (0.55) MGAMGAASIMGAM2ESR1
SCHEMBL4352212 0.77 MGAM (0.55) MGAMGAASIMGAM2ESR1
SCHEMBL1192237 0.76 NPC1 (0.50) MGAMGAASIMGAM2NPC1
SCHEMBL6139625 0.76 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL4692683 0.76 MGAM (0.53) MGAMGAASIMGAM2ESR1
SCHEMBL110724 0.76 MGAM (0.53) MGAMGAASIMGAM2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
WO-2016073407-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-12 WO disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
EP-0977740-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR, INC. (US) 2000-02-09 EP disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 WO disclosed
WO-1998046571-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR INC. (US) 1998-10-22 WO disclosed
US-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed
EP-0209106-B1 2-(4-PYRIDYLAMINOMETHYL)-BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS Maruishi Seiyaku Kabushiki Kaisha (JP) 1989-10-18 EP disclosed
US-4714764-A ENTEROVIRUS AND RHINOVIRUS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1987-12-22 US disclosed
EP-0209106-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives and pharmaceutical compositions Maruishi Seiyaku Kabushiki Kaisha (JP) 1987-01-21 EP 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 (3 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-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands CHRNA7, CHRNA5, CHRNA2 MGAM 4449/4885GAA 971/4885SI 2640/4885
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF HDAC1, HDAC11, HDAC6 MGAM 3834/4885GAA 473/4885SI 3361/4885
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 MGAM 4410/4885GAA 920/4885SI 2326/4885

“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.