SCHEMBL1365103

SCHEMBL1365103

c1ccc2c(c1)CCC1C[N]CCN21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.55
HTR2B P41595 4/20 0.55
HTR2A P28223 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
DRD3 P35462 3/20 0.40
SRD5A1 P18405 1/20 0.40
SCD O00767 1/20 0.38
GRIN2B Q13224 2/20 0.37
NOTUM Q6P988 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL1364392 0.85 HTR2C (0.53) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL12638317 0.76 HTR2C (0.71) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL10652419 0.76 HTR2C (0.71) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL10653852 0.75 HTR2C (0.69) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL3723794 0.73 OPRM1 (0.65) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL10671459 0.73 HTR2C (0.57) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL10741872 0.71 HTR2C (0.55) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL30396809 0.71 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL13722074 0.71 HTR2C (0.55) HTR2CHTR2BHTR2AOPRM1OPRK1
SCHEMBL3265754 0.71 HTR2C (1.00) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP claimed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP claimed
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION (US) 2014-07-03 US claimed
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP claimed
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION 2011-11-24 US claimed
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2009-05-14 US claimed
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP claimed
WO-2007143600-A2 SHEDDASE INHIBITORS COMBINED WITH CD30-BINDING IMMUNOTHERAPEUTICS FOR THE TREATMENT OF CD30 POSITIVE DISEASES INCYTE CORPORATION (US) 2007-12-13 WO claimed
US-20070280943-A1 SHEDDASE INHIBITORS COMBINED WITH CD30-BINDING IMMUNOTHERAPEUTICS FOR THE TREATMENT OF CD30 POSITIVE DISEASES INCYTE CORPORATION 2007-12-06 US claimed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP claimed
US-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION 2004-12-23 US claimed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO claimed
EP-4200311-A2 METHODS OF MAKING CHOLIC ACID DERIVATIVES AND STARTING MATERIALS THEREFOR Sandhill One, LLC (US) 2023-06-28 EP disclosed
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 EP disclosed
WO-2022039983-A2 METHODS OF MAKING CHOLIC ACID DERIVATIVES AND STARTING MATERIALS THEREFOR SANDHILL ONE, LLC (US) 2022-02-24 WO disclosed
US-20220056070-A1 METHODS OF MAKING CHOLIC ACID DERIVATIVES AND STARTING MATERIALS THEREFOR SANDHILL ONE, LLC 2022-02-24 US disclosed
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2005-12-01 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO disclosed
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors INCYTE CORPORATION 2005-11-10 US disclosed
US-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION 2004-12-23 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 (8 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-20220056070-A1 METHODS OF MAKING CHOLIC ACID DERIVATIVES AND STARTING MATERIALS THEREFOR CYP7A1, CYP27A1, CYP46A1 HTR2C 4163/4885HTR2B 4362/4885HTR2A 4816/4885
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 HTR2C 3651/4885HTR2B 3337/4885HTR2A 3178/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 HTR2C 3651/4885HTR2B 3337/4885HTR2A 3178/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 HTR2C 3651/4885HTR2B 3337/4885HTR2A 3178/4885
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors CCR5, CXCR3, CCR2 HTR2C 743/4885HTR2B 1041/4885HTR2A 1160/4885
US-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions MMP9, MMP25, HDAC5 HTR2C 591/4885HTR2B 877/4885HTR2A 821/4885
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors MMP9, MMP17, MMP25 HTR2C 2955/4885HTR2B 1998/4885HTR2A 3029/4885
US-20070280943-A1 SHEDDASE INHIBITORS COMBINED WITH CD30-BINDING IMMUNOTHERAPEUTICS FOR THE TREATMENT OF CD30 POSITIVE DISEASES CD2, ENTPD1, PDCD10 HTR2C 4319/4885HTR2B 3827/4885HTR2A 3601/4885

“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.