SCHEMBL6630285

SCHEMBL6630285

CCc1nc2ccc(F)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 6/20 0.63
MAPK1 P28482 2/20 0.63
GAA P10253 2/20 0.63
GFER P55789 2/20 0.56
AXL P30530 1/20 0.56
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDPK1 O15530 1/20 0.49
DYRK1A Q13627 1/20 0.49
APP P05067 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL7223517 0.86 NPC1 (0.63) NPC1RAB9AMAPK1GAAGFER
SCHEMBL6629286 0.84 NPC1 (0.53) NPC1RAB9AMAPK1GAAGFER
SCHEMBL8465212 0.82 GFER (0.56) NPC1RAB9AMAPK1GFERAXL
SCHEMBL7547176 0.82 GFER (0.56) NPC1RAB9AMAPK1GFERAXL
SCHEMBL1729400 0.82 GFER (0.61) NPC1RAB9AMAPK1GFERAXL
SCHEMBL7222770 0.82 GFER (0.56) NPC1RAB9AMAPK1GAAGFER
SCHEMBL10271315 0.80 RAB9A (0.66) NPC1RAB9AMAPK1GAAMAPT
SCHEMBL2756575 0.80 RAB9A (0.67) NPC1RAB9AMAPK1GAAMAPT
SCHEMBL5968511 0.79 GFER (0.57) NPC1RAB9AMAPK1GFERAXL
SCHEMBL13462723 0.79 RAB9A (0.63) NPC1RAB9AMAPK1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020238369-A1 COMPOUND FOR INHIBITING RORγT ACTIVITY, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 赛尔瑞成(北京)生命科学技术有限公司 2020-12-03 WO disclosed
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
CN-1320597-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 2001-11-07 CN disclosed
CN-1061347-C Antifungal agent and its preparation method and intermediate EISAI CO LTD (JP) 2001-01-31 CN disclosed
CN-1045441-C Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1999-10-06 CN disclosed
CN-1219538-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1999-06-16 CN disclosed
US-5792781-A EFFECTIVE AGAINST DERMATOMYCOSIS/VISCEROMYCOSIS CAUSED BY FUNGI, I.E., CANDIDA ALBICANS EISAI CO., LTD. (JP) 1998-08-11 US disclosed
US-5789429-A FUNGICIDE EISAI CO., LTD. (JP) 1998-08-04 US disclosed
CN-1188765-A Antifungal agent and its preparation method and intermediate EISAI CO LTD (JP) 1998-07-29 CN disclosed
US-5648372-A TRIAZOLES EISAI CO., LTD. (JP) 1997-07-15 US disclosed
CN-1113241-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1995-12-13 CN disclosed
EP-0667346-A2 Azole antifungal agents, process for the preparation there of and intermediates Eisai Co., Ltd. (JP) 1995-08-16 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 (6 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-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPK1 1647/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPK1 1647/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPK1 1647/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPK1 1647/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPK1 1647/4885
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 NPC1 3115/4885RAB9A 2900/4885MAPK1 518/4885

“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.