SCHEMBL13659348

SCHEMBL13659348

CN(C)C1CCN(c2ccc(N3CCc4cc(OCC5CC5)ccc4C3=O)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.47
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MCHR1 Q99705 2/20 0.39
ACACB O00763 2/20 0.39
KCNH2 Q12809 1/20 0.38
GPR84 Q9NQS5 2/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL13659347 0.89 AOC3 (0.42) AOC3ITGB3ITGA2BMCHR1GPR84
SCHEMBL13659211 0.89 MCHR1 (0.49) AOC3ITGB3ITGA2BMCHR1KCNH2
SCHEMBL4292838 0.89 MCHR1 (0.49) AOC3ITGB3ITGA2BMCHR1KCNH2
SCHEMBL4292829 0.89 MCHR1 (0.49) AOC3ITGB3ITGA2BMCHR1KCNH2
SCHEMBL4293215 0.89 AOC3 (0.43) AOC3ITGB3ITGA2BMCHR1ACACB
SCHEMBL4293218 0.89 AOC3 (0.43) AOC3ITGB3ITGA2BMCHR1ACACB
SCHEMBL13659177 0.85 FPR1 (0.42) AOC3ITGB3ITGA2BMCHR1ACACB
SCHEMBL13659350 0.84 HRH3 (0.44) AOC3MCHR1ACACBKCNH2
SCHEMBL12966613 0.82 AOC3 (0.44) AOC3MCHR1KCNH2
SCHEMBL4292252 0.81 MCHR1 (0.40) AOC3MCHR1KCNH2

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 4 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
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US 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
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 AOC3 930/4885ITGB3 3183/4885ITGA2B 3357/4885

“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.