SCHEMBL4172068

SCHEMBL4172068

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.53
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
HSD11B1 P28845 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PREP P48147 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL4172065 1.00 GPR119 (0.53) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4167160 1.00 GPR119 (0.53) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4772502 0.96 CHRM2 (0.57) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL16390913 0.95 GPR119 (0.51) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL16390912 0.95 GPR119 (0.51) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2454639 0.84 POLB (0.71) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL31050717 0.84 POLB (0.71) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2454638 0.84 POLB (0.71) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL20989256 0.84 CHRM2 (0.55) GPR119CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL21526582 0.84 CHRM2 (0.55) GPR119CHRM2CHRM1CHRM3ALDH1A1

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 GPR119 281/4885CHRM2 66/4885CHRM1 33/4885

“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.