SCHEMBL4297952

SCHEMBL4297952

CC(=O)N(C)C1CCCN(c2ccc(N)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.50
HRH3 Q9Y5N1 1/20 0.47
GFER P55789 2/20 0.46
CASP6 P55212 1/20 0.46
MAP4K4 O95819 1/20 0.45
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL1749414 0.92 MCHR1 (0.58) MCHR1HRH3GFERCASP6MAP4K4
SCHEMBL1750259 0.92 MCHR1 (0.58) MCHR1HRH3GFERCASP6MAP4K4
SCHEMBL1750857 0.92 MCHR1 (0.58) MCHR1HRH3GFERCASP6MAP4K4
SCHEMBL1749513 0.86 GFER (0.49) MCHR1HRH3GFERCASP6MAP4K4
SCHEMBL7287775 0.83 GFER (0.54) MCHR1HRH3GFERCASP6MAP4K4
SCHEMBL4288184 0.83 SETD2 (0.43) MCHR1HRH3MAP4K4FPR1FPR2
SCHEMBL3440096 0.83 MAPT (0.49) MCHR1GFERCASP6MAP4K4FPR1
SCHEMBL14532568 0.81 MCHR1 (0.67) MCHR1HRH3MAP4K4PIK3CA
SCHEMBL1749695 0.81 MCHR1 (0.49) MCHR1GFERCASP6MAP4K4USP2
SCHEMBL2637307 0.81 MCHR1 (0.49) MCHR1GFERCASP6MAP4K4USP2

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 6 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
CN-101384583-A Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN 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 MCHR1 1/4885HRH3 75/4885GFER 4333/4885

“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.