SCHEMBL4292437

SCHEMBL4292437

COc1ccc2c(c1)CCN(c1ccc(N3CCCN(C)CC3)cc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.51
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 6/20 0.46
▸ AOC3 Q16853 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ F2 P00734 1/20 0.43

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
SCHEMBL13659167 0.86 MCHR1 (0.49) DRD2AOC3
SCHEMBL4301131 0.83 LMNA (0.47) F10DRD2DRD3AOC3LMNA
SCHEMBL16848202 0.83 AOC3 (0.61) DRD2DRD3AOC3NPC1PKM
SCHEMBL4295435 0.82 AOC3 (0.49) AOC3LMNAPOLB
SCHEMBL4295437 0.82 AOC3 (0.49) AOC3LMNAPOLB
SCHEMBL16827362 0.82 PDE4A (0.55) AOC3NPC1PKMRAB9A
SCHEMBL29438613 0.82 PDE4A (0.55) AOC3NPC1PKMRAB9A
SCHEMBL29438611 0.82 PDE4A (0.55) AOC3NPC1PKMRAB9A
SCHEMBL12870758 0.81 AOC3 (0.58) DRD2DRD4DRD3AOC3LMNA
SCHEMBL16827495 0.80 AOC3 (0.50) AOC3LMNANPC1PKMRAB9A

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 F10 4781/4885DRD2 1022/4885DRD4 668/4885

“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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