SCHEMBL4294523

SCHEMBL4294523

CN(CCS(C)(=O)=O)[C@@H]1CCN(c2ccc(N)cc2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RPS6KB1 P23443 1/20 0.38
CHIT1 Q13231 2/20 0.37
CHIA Q9BZP6 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
WDR5 P61964 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
NOTUM Q6P988 1/20 0.35
NPY5R Q15761 2/20 0.35
RECQL P46063 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 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
SCHEMBL4258525 0.84 RECQL (0.54) ALDH1A1HTTMAPTGAASMN1; SMN2
SCHEMBL27740443 0.82 MCHR1 (0.40) ALDH1A1MAPTKDM4ERAD52GAA
SCHEMBL4257379 0.82 MCHR1 (0.40) ALDH1A1MAPTKDM4ERAD52GAA
SCHEMBL1749921 0.80 ALDH1A1 (0.61) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL4294522 0.76 ALDH1A1 (0.50) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL20374357 0.75 ALDH1A1 (0.69) ALDH1A1HTTMAPTKDM4ERAD52
SCHEMBL3600861 0.72 TSHR (0.56) ALDH1A1MAPTGAASMN1; SMN2TDP1
SCHEMBL13659174 0.72 MCHR1 (0.43)
SCHEMBL13410113 0.69 POLB (0.51) ALDH1A1POLBGAASMN1; SMN2TDP1
SCHEMBL15586057 0.68 ALDH1A1 (0.44) ALDH1A1HTTMAPTKDM4EPOLB

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 ALDH1A1 1961/4885HTT 1083/4885MAPT 4710/4885

“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.