SCHEMBL4296400

SCHEMBL4296400

CC1(O)CCN(C2CCN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
USP30 Q70CQ3 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL4296393 1.00 HPGD (0.43) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL17848754 0.92 MEN1 (0.47) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL2157153 0.91 HPGD (0.49) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL2673968 0.90 NR1H2 (0.44) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL31209124 0.85 HPGD (0.42) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL13085760 0.85 HPGD (0.55) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL31209483 0.85 HPGD (0.48) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL34473834 0.85 HPGD (0.51) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL14196264 0.85 HPGD (0.51) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL31209057 0.85 HPGD (0.51) HPGDRECQLEPHX1GPR119MAPT

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 HPGD 1053/4885RECQL 476/4885EPHX1 1781/4885

“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.