SCHEMBL4167740

SCHEMBL4167740

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(N)cc1Br)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
OPRK1 P41145 2/20 0.47
CYP2D6 P10635 5/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL4167743 1.00 SLC6A2 (0.53) SLC6A2SLC6A3OPRK1CYP2D6CHRM2
SCHEMBL4176401 0.84 SLC6A2 (0.54) SLC6A2SLC6A3OPRK1CYP2D6CHRM2
SCHEMBL1022974 0.82 SLC6A3 (0.53) SLC6A2SLC6A3OPRK1CYP2D6CHRM2
SCHEMBL1025078 0.82 CYP2D6 (0.53) SLC6A2SLC6A3OPRK1CYP2D6CHRM5
SCHEMBL1025077 0.82 CYP2D6 (0.53) SLC6A2SLC6A3OPRK1CYP2D6CHRM5
SCHEMBL4176415 0.82 SLC6A3 (0.53) SLC6A2SLC6A3OPRK1CYP2D6CHRM2
SCHEMBL4171654 0.82 CYP2D6 (0.53) SLC6A2SLC6A3OPRK1CYP2D6CHRM5
SCHEMBL1025074 0.82 SLC6A3 (0.53) SLC6A2SLC6A3OPRK1CYP2D6DRD2
SCHEMBL4176335 0.82 SLC6A3 (0.53) SLC6A2SLC6A3OPRK1CYP2D6DRD2
SCHEMBL1022251 0.82 SLC6A3 (0.53) SLC6A2SLC6A3OPRK1CYP2D6DRD2

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 5 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
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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 (1 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-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 SLC6A2 82/4885SLC6A3 262/4885OPRK1 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.