SCHEMBL4297446

SCHEMBL4297446

COc1cc(N)ccc1N1CCCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KDM4E B2RXH2 5/20 0.55
RAD52 P43351 1/20 0.55
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
NR4A1 P22736 2/20 0.49
ALDH1A1 P00352 7/20 0.48
ALDH1A3 P47895 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 5/20 0.47
KMT2A Q03164 3/20 0.47
PTK2B Q14289 3/20 0.47
GFER P55789 2/20 0.47
ADRA2C P18825 2/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 2/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL29517510 0.94 MAPT (0.61) MAPTKDM4ERAD52DRD2DRD3
SCHEMBL189143 0.94 MAPT (0.61) MAPTKDM4ERAD52DRD2DRD3
SCHEMBL1930522 0.88 ALDH1A1 (0.59) MAPTKDM4ERAD52NR4A1ALDH1A1
SCHEMBL15358685 0.87 NR4A1 (0.61) MAPTKDM4ERAD52DRD2DRD3
SCHEMBL3166854 0.86 ALDH1A1 (0.59) MAPTKDM4ERAD52NR4A1ALDH1A1
SCHEMBL17145033 0.84 DRD2 (0.55) MAPTKDM4EDRD2DRD3ALDH1A1
SCHEMBL28511296 0.82 DRD2 (0.54) KDM4EDRD2DRD3ALDH1A1ALDH1A3
SCHEMBL1397389 0.81 DRD2 (0.60) MAPTKDM4ERAD52DRD2DRD3
SCHEMBL23126654 0.81 DRD2 (0.48) MAPTKDM4ERAD52DRD2DRD3
SCHEMBL10035927 0.81 NR4A1 (0.48) MAPTKDM4ERAD52DRD2DRD3

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 MAPT 4710/4885KDM4E 463/4885RAD52 3547/4885

“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.