SCHEMBL4301131

SCHEMBL4301131

CN1CCCN(c2ccc(N3CCc4cc(O)ccc4C3=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ F10 P00742 6/20 0.47
▸ CHKA P35790 1/20 0.46
▸ ESR1 P03372 3/20 0.44
▸ ESR2 Q92731 3/20 0.44
▸ FYN P06241 1/20 0.42
▸ NCF1 P14598 1/20 0.41
▸ BCAT2 O15382 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ AOC3 Q16853 1/20 0.40

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
SCHEMBL4292437 0.83 F10 (0.51) LMNAF10DRD2DRD3AOC3
SCHEMBL22725954 0.82 AOC3 (0.55) ESR1ESR2BCAT2MAOAMAOB
SCHEMBL12966465 0.80 CYP11B1 (0.41) ESR1ESR2BCAT2DRD2DRD1
SCHEMBL29438665 0.79 BCAT2 (0.46) ESR1ESR2BCAT2MAOAMAOB
SCHEMBL16827426 0.79 BCAT2 (0.46) ESR1ESR2BCAT2MAOAMAOB
SCHEMBL13659167 0.79 MCHR1 (0.49) DRD2AOC3
SCHEMBL22713726 0.79 CYP11B1 (0.53) ESR1ESR2BCAT2MAOAMAOB
SCHEMBL4295435 0.77 AOC3 (0.49) LMNAAOC3
SCHEMBL4295437 0.77 AOC3 (0.49) LMNAAOC3
SCHEMBL14158182 0.77 BCAT2 (0.53) LMNAESR2BCAT2MAOAMAOB

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 LMNA 2658/4885F10 4781/4885CHKA 2511/4885

“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.

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