SCHEMBL4303345

SCHEMBL4303345

CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3ccc(N)cc3)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.52
CYP3A4 P08684 8/20 0.51
CYP2C19 P33261 4/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
CYP2D6 P10635 1/20 0.49
SCD5 Q86SK9 1/20 0.47
USP2 O75604 3/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HIF1A Q16665 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NR1H2 P55055 1/20 0.44
GPR183 P32249 1/20 0.44

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
SCHEMBL2886266 1.00 CYP11B2 (0.52) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL12006071 0.94 CYP11B2 (0.50) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL12005361 0.93 GPR119 (0.49) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL12004996 0.93 CYP3A4 (0.55) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL20842160 0.89 GPR119 (0.57) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL21946732 0.89 MAPK1 (0.54) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL21026618 0.88 CYP11B2 (0.50) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL21855169 0.88 CYP3A4 (0.52) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL21963775 0.88 CYP11B2 (0.52) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL19838586 0.88 CYP3A4 (0.66) CYP11B2CYP3A4CYP2C19CYP1A2CYP2C9

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 CYP11B2 6/4885CYP3A4 80/4885CYP2C19 404/4885

“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.