SCHEMBL1022406

SCHEMBL1022406

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRK1 P41145 2/20 0.45
KCNH2 Q12809 2/20 0.45
POLB P06746 1/20 0.42
S1PR4 O95977 1/20 0.38
CYP19A1 P11511 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HSPB1 P04792 1/20 0.36
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL1022408 1.00 OPRM1 (0.45) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1022409 1.00 OPRM1 (0.45) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1025314 0.94 OPRK1 (0.43) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1025315 0.94 OPRK1 (0.43) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1021552 0.85 POLB (0.53) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1021553 0.85 POLB (0.53) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1021554 0.85 POLB (0.53) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1022039 0.83 POLB (0.42) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1022040 0.83 POLB (0.42) OPRM1OPRK1KCNH2POLBS1PR4
SCHEMBL1022041 0.83 POLB (0.42) OPRM1OPRK1KCNH2POLBS1PR4

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
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

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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 OPRM1 195/4885OPRK1 206/4885KCNH2 1583/4885

“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.