SCHEMBL4176017

SCHEMBL4176017

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C(N)=O)cc1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.71
KCNH2 Q12809 8/20 0.63
PARP10 Q53GL7 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
SENP8 Q96LD8 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
OPRM1 P35372 3/20 0.51
CYP2D6 P10635 3/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
CYP2C19 P33261 2/20 0.50
CHRNA7 P36544 1/20 0.50
LMNA P02545 1/20 0.50
MAP4K4 O95819 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 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
SCHEMBL3960825 1.00 OPRK1 (0.71) OPRK1KCNH2PARP10SLC6A2SLC6A3
SCHEMBL4236560 0.87 SLC6A2 (0.67) OPRK1KCNH2SLC6A2SLC6A3SENP8
SCHEMBL8005458 0.83 SLC6A2 (0.70) OPRK1KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL2100555 0.81 SLC6A3 (0.72) OPRK1KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL20540675 0.81 SLC6A3 (0.72) OPRK1KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL1022638 0.81 SLC6A3 (0.72) OPRK1KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL1022636 0.81 SLC6A3 (0.72) OPRK1KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL16292062 0.79 OPRK1 (0.56) OPRK1KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL16292066 0.79 OPRK1 (0.56) OPRK1KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL18871654 0.79 PARP10 (0.69) OPRK1KCNH2PARP10SENP8SENP6

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 OPRK1 58/4885KCNH2 1358/4885PARP10 1814/4885

“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.