SCHEMBL349015

SCHEMBL349015

O=[C]Cc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.43
LMNA P02545 1/20 0.43
PDE10A Q9Y233 3/20 0.42
NCF1 P14598 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MGAM O43451 1/20 0.41

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
SCHEMBL1779691 0.84 CYSLTR1 (0.49) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL5966250 0.80 CYSLTR1 (0.49) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL1078145 0.80 MEN1 (0.59) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL5090156 0.79 CYP1A2 (0.45) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
Bromide SCHEMBL27610232 0.78 CYSLTR1 (0.47) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL243294 0.77 CYSLTR1 (0.53) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL30879956 0.76 CYSLTR1 (0.57) CYP1A2CYSLTR1CYSLTR2LMNAPDE10A
SCHEMBL2913941 0.76 PDE10A (0.61) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL3267444 0.76 CYSLTR1 (0.57) CYP1A2CYSLTR1CYSLTR2LMNAPDE10A
SCHEMBL1707992 0.76 CYSLTR1 (0.57) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP claimed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP claimed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO claimed
US-20040176309-A1 Siglec inhibitors KELM SORGE (DE) 2004-09-09 US claimed
EP-1397374-A2 SIGLEC INHIBITORS Kelm, Sörge (DE) 2004-03-17 EP claimed
WO-2003000709-A9 SIALIC ACID DERIVATIVES FOR USE AS SIGLEC INHIBITORS KELM SORGE (DE) 2003-04-10 WO claimed
WO-2003000709-A2 SIALIC ACID DERIVATIVES FOR USE AS SIGLEC INHIBITORS KELM SORGE (DE) 2003-01-03 WO claimed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-5712274-A ANTIINFLAMMATORY, ANTIALLERGEN YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-01-27 US disclosed
EP-0717736-A4 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LTD (HK) 1996-08-28 EP disclosed
EP-0717736-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1996-06-26 EP disclosed
WO-1995007269-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1995-03-16 WO disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
US-4169150-A MUSCLE RELAXANTS, HYPNOSIS, ANTICONVULSANTS, SEDATIVES TEIJIN LIMITED (JP) 1979-09-25 US disclosed
US-4138553-A 3-Methylene cephalosporanic acid derivatives and process for preparation thereof TEIJIN LIMITED (JP) 1979-02-06 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 (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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF CYP1A2 4794/4885CYSLTR1 3358/4885CYSLTR2 3086/4885
US-20040176309-A1 Siglec inhibitors SIGLEC9, SIGLEC7, FCER2 CYP1A2 2115/4885CYSLTR1 95/4885CYSLTR2 100/4885

“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.