SCHEMBL4167230

SCHEMBL4167230

Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3C)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.56
SLC6A3 Q01959 2/20 0.56
OPRK1 P41145 3/20 0.53
OPRM1 P35372 2/20 0.43
KCNH2 Q12809 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
NR1I2 O75469 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 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
SCHEMBL4167226 1.00 SLC6A2 (0.56) SLC6A2SLC6A3OPRK1OPRM1KCNH2
SCHEMBL4170072 0.84 SLC6A3 (0.55) SLC6A2SLC6A3OPRK1CYP1A2CYP2D6
SCHEMBL4170069 0.84 SLC6A3 (0.55) SLC6A2SLC6A3OPRK1CYP1A2CYP2D6
SCHEMBL1177378 0.82 SLC6A3 (0.56) SLC6A2SLC6A3OPRK1CYP1A2CYP2D6
SCHEMBL1177377 0.82 SLC6A3 (0.56) SLC6A2SLC6A3OPRK1CYP1A2CYP2D6
SCHEMBL2100555 0.81 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1OPRM1KCNH2
SCHEMBL1022636 0.81 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1OPRM1KCNH2
SCHEMBL20540675 0.81 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1OPRM1KCNH2
SCHEMBL1022638 0.81 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1OPRM1KCNH2
SCHEMBL18956911 0.81 ALDH1A1 (0.43) SLC6A2SLC6A3KCNH2CYP3A4MAPT

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 3 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

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.