SCHEMBL4293243

SCHEMBL4293243

CC1(C(=O)O)CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
CYP2D6 P10635 7/20 0.55
CYP3A4 P08684 3/20 0.54
TSHR P16473 2/20 0.54
LTA4H P09960 1/20 0.52
GAA P10253 1/20 0.51
OPRL1 P41146 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13556689 0.91 CYP2D6 (0.60) CYP2D6CYP3A4TSHRGAAALDH1A1
SCHEMBL1269458 0.90 CYP2D6 (0.61) DRD2DRD4DRD3CYP2D6CYP3A4
SCHEMBL9377754 0.85 DRD2 (0.51) DRD2DRD4DRD3CYP2D6CYP3A4
SCHEMBL12372530 0.85 CYP2D6 (0.54) DRD2DRD4DRD3CYP2D6CYP3A4
SCHEMBL15635591 0.85 KDM4E (0.56) DRD2DRD3GAAOPRL1CHRM2
SCHEMBL17619552 0.84 DRD2 (0.50) DRD2DRD4DRD3CYP2D6CYP3A4
SCHEMBL2262610 0.82 CYP3A4 (0.56) CYP2D6CYP3A4TSHRGAAOPRL1
SCHEMBL4817148 0.82 CYP3A4 (0.56) CYP2D6CYP3A4TSHRGAAOPRL1
SCHEMBL14716240 0.81 CYP2D6 (0.63) DRD2DRD4DRD3CYP2D6CYP3A4
SCHEMBL11544321 0.81 OPRL1 (0.57) CYP2D6CYP3A4TSHROPRL1CHRM2

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 DRD2 1022/4885DRD4 668/4885DRD3 1149/4885

“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.