SCHEMBL4293218

SCHEMBL4293218

CN(C)C1CCN(c2ccc(N3CCc4cc(OCC5CC5)ccc4C3=O)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.43
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42
ACACB O00763 2/20 0.41
MCHR1 Q99705 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
WDR5 P61964 1/20 0.37
ROCK2 O75116 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 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
SCHEMBL4293215 1.00 AOC3 (0.43) AOC3FPR1FPR2ACACBMCHR1
SCHEMBL13659177 0.96 FPR1 (0.42) AOC3FPR1FPR2ACACBMCHR1
SCHEMBL13659387 0.92 AOC3 (0.40) AOC3FPR1FPR2ACACBMCHR1
SCHEMBL13659347 0.91 AOC3 (0.42) AOC3FPR1FPR2MCHR1ITGB3
SCHEMBL4289451 0.90 MCHR1 (0.51) AOC3FPR1FPR2MCHR1ITGB3
SCHEMBL4289456 0.90 MCHR1 (0.51) AOC3FPR1FPR2MCHR1ITGB3
SCHEMBL13659388 0.89 AOC3 (0.44) AOC3FPR1FPR2MCHR1ITGB3
SCHEMBL13659179 0.89 AOC3 (0.42) AOC3FPR1FPR2ACACBMCHR1
SCHEMBL13659176 0.89 MCHR1 (0.43) AOC3FPR1FPR2ACACBMCHR1
SCHEMBL13659390 0.89 FPR1 (0.41) AOC3FPR1FPR2MCHR1ITGB3

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
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 AOC3 930/4885FPR1 626/4885FPR2 534/4885

“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.