SCHEMBL4176335

SCHEMBL4176335

CN1C2CCC1CC(Oc1ccc(N)cc1Cl)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.53
SLC6A2 P23975 1/20 0.53
OPRK1 P41145 1/20 0.47
DRD3 P35462 2/20 0.44
ERBB2 P04626 1/20 0.42
FLT1 P17948 1/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
CYP2D6 P10635 4/20 0.42
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
GMNN O75496 1/20 0.42
HTR3B O95264 1/20 0.42
ALOX15 P16050 1/20 0.42
MTOR P42345 1/20 0.42
HTR3A P46098 1/20 0.42
PMP22 Q01453 1/20 0.42
HTR3D Q70Z44 1/20 0.42

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
SCHEMBL1025074 1.00 SLC6A3 (0.53) SLC6A3SLC6A2OPRK1DRD3ERBB2
SCHEMBL1022251 1.00 SLC6A3 (0.53) SLC6A3SLC6A2OPRK1DRD3ERBB2
SCHEMBL1022252 1.00 SLC6A3 (0.53) SLC6A3SLC6A2OPRK1DRD3ERBB2
SCHEMBL1022031 0.99 SLC6A3 (0.51) SLC6A3SLC6A2OPRK1DRD3ERBB2
SCHEMBL1022029 0.99 SLC6A3 (0.51) SLC6A3SLC6A2OPRK1DRD3ERBB2
SCHEMBL4176401 0.84 SLC6A2 (0.54) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL4171654 0.82 CYP2D6 (0.53) SLC6A3SLC6A2OPRK1ERBB2FLT1
SCHEMBL4176415 0.82 SLC6A3 (0.53) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1022974 0.82 SLC6A3 (0.53) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL4167743 0.82 SLC6A2 (0.53) SLC6A3SLC6A2OPRK1DRD3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 SLC6A3 4567/4885SLC6A2 4807/4885OPRK1 1490/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 SLC6A3 262/4885SLC6A2 82/4885OPRK1 58/4885

“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.