SCHEMBL4288189

SCHEMBL4288189

CN(C)C1CCN(c2ccc(N3CCc4cc(O)ccc4C3=O)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.41
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
HSD11B1 P28845 1/20 0.36
WEE1 P30291 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MCHR1 Q99705 3/20 0.35
AOC3 Q16853 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4287527 0.90 FPR1 (0.49) WDR5FPR1FPR2CYP11B1CYP11B2
SCHEMBL4287520 0.90 FPR1 (0.49) WDR5FPR1FPR2CYP11B1CYP11B2
SCHEMBL4292252 0.89 MCHR1 (0.40) FPR1FPR2CYP11B1CYP11B2DRD2
SCHEMBL4297923 0.88 AOC3 (0.39) WDR5FPR1FPR2HSD11B1DRD2
SCHEMBL14426263 0.85 FPR1 (0.39) WDR5FPR1FPR2CYP11B1CYP11B2
SCHEMBL13659349 0.85 HRH3 (0.40) WDR5FPR1FPR2SLC6A2SLC6A4
SCHEMBL4291572 0.84 MCHR1 (0.46) FPR1FPR2MCHR1AOC3
SCHEMBL13659347 0.84 AOC3 (0.42) WDR5FPR1FPR2DRD2MCHR1
SCHEMBL4292609 0.80 FPR1 (0.53) WDR5FPR1FPR2CYP11B1CYP11B2
SCHEMBL4292603 0.80 FPR1 (0.53) WDR5FPR1FPR2CYP11B1CYP11B2

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 WDR5 2154/4885FPR1 626/4885FPR2 534/4885

“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.