SCHEMBL852825

SCHEMBL852825

[c]1c(Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.34
ALOX5 P09917 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL11863358 0.87 CYP2A6 (0.32) CYP1A2CYP2C9CYP2C19
SCHEMBL9064838 0.83 CALM1 (0.38) CALM1ALOX5BCL2BCL2L1CYP1A2
SCHEMBL6740961 0.82 KCNH2 (0.39) LOXL2
SCHEMBL10691711 0.81 CYP11B1 (0.41) CYP1A2CYP2D6LTA4H
SCHEMBL3143306 0.80 HPRT1 (0.42) CALM1GPR55
SCHEMBL9466571 0.75 TRPA1 (0.32)
SCHEMBL6674217 0.75 TRPA1 (0.32)
SCHEMBL66086 0.75 CYP1A2 (0.39) CYP1A2
SCHEMBL6897074 0.75 LOXL2 (0.37) LOXL2
SCHEMBL4271458 0.75 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115364079-A Application of benzyl naphthyl (sulfoxide) sulfone compound in preparing radioprotective medicament 中国人民解放军军事科学院军事医学研究院 2022-11-22 CN claimed
EP-3352991-A1 HEAT-SENSITIVE RECORDING MATERIAL Mitsubishi HiTec Paper Europe GmbH (DE) 2018-08-01 EP claimed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP claimed
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2016-09-22 US claimed
EP-3019477-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE Novartis AG (CH) 2016-05-18 EP claimed
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF TADESSE DAWIT (US) 2016-01-07 US claimed
US-20150238485-A1 OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS SHIONOGI & CO., LTD. (JP) 2015-08-27 US claimed
US-9040533-B2 Oxime-substituted-quinoxaline-type piperidine compounds as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-05-26 US claimed
WO-2015003223-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2015-01-15 WO claimed
US-8846929-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-09-30 US claimed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US claimed
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP claimed
EP-2043634-A2 SUBSTITUTED PYRAZOLES AS GHRELIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-04-08 EP claimed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO claimed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US claimed
WO-2008008286-A2 SUBSTITUTED PYRAZOLES AS GHRELIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 WO claimed
EP-1361876-A4 NOVEL CANNABIMIMETIC LIGANDS UNIV CONNECTICUT (US) 2004-03-31 EP claimed
EP-1361876-A2 NOVEL CANNABIMIMETIC LIGANDS The University of Connecticut (US) 2003-11-19 EP claimed
WO-2002058636-A2 NOVEL CANNABIMIMETIC LIGANDS UNIVERSITY OF CONNECTICUT (US) 2002-08-01 WO claimed
EP-0101954-B1 ISOINDOLAZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1986-07-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20150238485-A1 OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS OPRL1, OGFRL1, OPRD1 CALM1 249/4885LOXL2 25/4885ALOX5 318/4885
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF OPRD1, OPRL1, P2RX4 CALM1 1207/4885LOXL2 2357/4885ALOX5 1511/4885
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R CALM1 3650/4885LOXL2 4645/4885ALOX5 2997/4885
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, ABCB1, FDPS CALM1 2542/4885LOXL2 3245/4885ALOX5 2493/4885
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF OPRK1, OPRD1, P2RX4 CALM1 819/4885LOXL2 4070/4885ALOX5 2449/4885

“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.