SCHEMBL4170069

SCHEMBL4170069

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(N)c(F)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.55
SLC6A2 P23975 3/20 0.55
OPRK1 P41145 1/20 0.52
CHRM1 P11229 3/20 0.43
DRD3 P35462 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
SLC6A4 P31645 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD5 P21918 1/20 0.43
HRH2 P25021 1/20 0.43

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
SCHEMBL4170072 1.00 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL4167230 0.84 SLC6A2 (0.56) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL4167226 0.84 SLC6A2 (0.56) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL1177444 0.83 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL1177443 0.83 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL1177641 0.80 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL1177640 0.80 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL2100555 0.80 SLC6A3 (0.72) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL20540675 0.80 SLC6A3 (0.72) SLC6A3SLC6A2OPRK1CHRM1DRD3
SCHEMBL1022636 0.80 SLC6A3 (0.72) SLC6A3SLC6A2OPRK1CHRM1DRD3

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 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.