SCHEMBL4174235

SCHEMBL4174235

CN1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1Br)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP19A1 P11511 4/20 0.42
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
PTGES O14684 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A4 P31645 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
SCHEMBL4174231 1.00 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL4174227 1.00 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL4177641 0.85 POLB (0.54) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL31203028 0.85 HIF1A (0.39) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL5864882 0.84 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL1021554 0.84 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL1026448 0.84 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL1022365 0.84 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL1021552 0.84 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6
SCHEMBL1022364 0.84 POLB (0.53) POLBSLC6A2SLC6A3CYP19A1CYP2D6

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 POLB 4085/4885SLC6A2 82/4885SLC6A3 262/4885

“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.