SCHEMBL995408

SCHEMBL995408

Cc1cc(-c2ccccc2Cl)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.50
CYP2C19 P33261 6/20 0.50
MAPT P10636 4/20 0.50
CYP2D6 P10635 3/20 0.50
CYP3A4 P08684 3/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL30338333 1.00 CYP1A2 (0.50) CYP1A2CYP2C19MAPTCYP2D6CYP3A4
SCHEMBL16482131 0.86 IDO1 (0.49) CYP1A2CYP2C19MAPTCYP2D6CYP3A4
SCHEMBL9213137 0.81 CYP1A2 (0.53) CYP1A2CYP2C19MAPTCYP2D6CYP3A4
SCHEMBL13579949 0.80 NPC1 (0.57) CYP1A2CYP2C19MAPTNPC1RAB9A
SCHEMBL10163467 0.79 RAB9A (0.49) CYP1A2CYP2C19MAPTHTTNPC1
SCHEMBL22228506 0.79 CYP1A2 (0.50) CYP1A2CYP2C19MAPTCYP2D6CYP3A4
SCHEMBL2624366 0.79 SMN1; SMN2 (0.50) CYP1A2CYP2C19MAPTCYP2D6CYP3A4
SCHEMBL16199151 0.78 NPC1 (0.47) CYP1A2CYP2C19MAPTCYP2D6CYP3A4
SCHEMBL2477370 0.78 RAB9A (0.44) CYP1A2CYP2C19MAPTCYP2D6CYP3A4
SCHEMBL3933042 0.78 MAPT (0.50) CYP1A2CYP2C19MAPTCYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US claimed
JP-2007501828-A 2007-02-01 JP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 WO claimed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US claimed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP claimed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO claimed
EP-3572402-B1 LINKED CYCLIC COMPOUND AS CASPASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-05-04 EP disclosed
EP-3099668-B1 5-BIPHENYL-4-HETEROARYLCARBONYLAMINO-PENTANOIC ACID DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2022-05-04 EP disclosed
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
EP-3473247-A1 COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS Pathologica LLC (US) 2019-04-24 EP disclosed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-1085011-A1 Novel polyamine analogues as therapeutic and diagnostic agents ORIDIGM CORPORATION (US) 2001-03-21 EP disclosed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US disclosed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO 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 (2 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 CYP1A2 701/4885CYP2C19 760/4885MAPT 890/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG CYP1A2 3593/4885CYP2C19 4252/4885MAPT 2061/4885

“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.