SCHEMBL4291585

SCHEMBL4291585

COc1ccc2c(c1)CCN(c1ccc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)c(F)c1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
ACACB O00763 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MCHR1 Q99705 1/20 0.36
F10 P00742 4/20 0.36
F2 P00734 1/20 0.36
AOC3 Q16853 5/20 0.35
FFAR1 O14842 3/20 0.34

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
SCHEMBL4291593 1.00 FPR1 (0.38) FPR1FPR2AAK1ACACBPDE10A
SCHEMBL4296336 0.91 FPR1 (0.40) FPR1FPR2AAK1PDE10AMCHR1
SCHEMBL4296340 0.91 FPR1 (0.40) FPR1FPR2AAK1PDE10AMCHR1
SCHEMBL4289453 0.90 MCHR1 (0.47) FPR1FPR2MCHR1F10AOC3
SCHEMBL4301104 0.89 MCHR1 (0.37) FPR1FPR2AAK1ACACBPDE10A
SCHEMBL4301112 0.89 MCHR1 (0.37) FPR1FPR2AAK1ACACBPDE10A
SCHEMBL4301100 0.89 MCHR1 (0.37) FPR1FPR2AAK1ACACBPDE10A
SCHEMBL4287484 0.87 FPR1 (0.44) FPR1FPR2ACACBMCHR1AOC3
SCHEMBL4287479 0.87 FPR1 (0.44) FPR1FPR2ACACBMCHR1AOC3
SCHEMBL13659306 0.80 AOC3 (0.44) FPR1FPR2MCHR1AOC3

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 5 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
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 FPR1 626/4885FPR2 534/4885AAK1 2536/4885

“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.