SCHEMBL1021554

SCHEMBL1021554

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
SLC6A3 Q01959 3/20 0.44
SLC6A2 P23975 2/20 0.44
HSPB1 P04792 2/20 0.42
CYP19A1 P11511 3/20 0.42
S1PR4 O95977 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
PTGES O14684 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL1021552 1.00 POLB (0.53) POLBSLC6A3SLC6A2HSPB1CYP19A1
SCHEMBL1021553 1.00 POLB (0.53) POLBSLC6A3SLC6A2HSPB1CYP19A1
SCHEMBL1022039 0.88 POLB (0.42) POLBHSPB1CYP19A1S1PR4OPRM1
SCHEMBL1022040 0.88 POLB (0.42) POLBHSPB1CYP19A1S1PR4OPRM1
SCHEMBL1022041 0.88 POLB (0.42) POLBHSPB1CYP19A1S1PR4OPRM1
SCHEMBL4177641 0.85 POLB (0.54) POLBSLC6A3SLC6A2CYP19A1OPRM1
SCHEMBL1022409 0.85 OPRM1 (0.45) POLBHSPB1CYP19A1S1PR4OPRM1
SCHEMBL1022406 0.85 OPRM1 (0.45) POLBHSPB1CYP19A1S1PR4OPRM1
SCHEMBL1022408 0.85 OPRM1 (0.45) POLBHSPB1CYP19A1S1PR4OPRM1
SCHEMBL22042142 0.84 HSPB1 (0.49) SLC6A3SLC6A2HSPB1CYP19A1S1PR4

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 6 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-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 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 (2 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 POLB 3641/4885SLC6A3 1371/4885SLC6A2 257/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 POLB 4085/4885SLC6A3 262/4885SLC6A2 82/4885

“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.