SCHEMBL9230752

SCHEMBL9230752

CN1CCC(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.64
HTR2C P28335 2/20 0.55
DRD3 P35462 2/20 0.50
GRM2 Q14416 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
HTR2B P41595 1/20 0.50
DRD4 P21917 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL11393853 0.91 DRD2 (0.59) DRD2HTR2CDRD3
SCHEMBL6926283 0.91 DRD2 (0.72) DRD2HTR2CDRD3GRM2CHRM2
Hydrochloric Acid SCHEMBL11397089 0.90 DRD2 (0.58) DRD2HTR2CDRD3
SCHEMBL13063397 0.87 DRD2 (0.58) DRD2HTR2CDRD3GRM2CHRM2
SCHEMBL16217327 0.86 DRD2 (0.49) DRD2HTR2CDRD3HTR1AHTR2B
SCHEMBL31060813 0.83 DRD2 (0.87) DRD2DRD3HTR1ADRD4
SCHEMBL12524340 0.82 DRD2 (0.73) DRD2HTR2CDRD3GRM2CHRM2
SCHEMBL10079117 0.81 HTR2C (0.50) DRD2HTR2CGRM2DRD4
SCHEMBL16660422 0.81 HTR2C (0.50) DRD2HTR2CGRM2DRD4
SCHEMBL22415904 0.80 DRD2 (0.65) DRD2HTR2CDRD3GRM2HTR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 US disclosed
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 US disclosed
WO-2008101953-A1 COMPOUNDS OF FORMULA (I) AS SERINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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 (3 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-20100076024-A1 Novel Compounds as Serine Protease Inhibitors PRSS1, SERPINB1, SPINT2 DRD2 4641/4885HTR2C 3007/4885DRD3 4316/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A DRD2 3001/4885HTR2C 549/4885DRD3 2048/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 DRD2 491/4885HTR2C 226/4885DRD3 1107/4885

“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.