SCHEMBL4295926

SCHEMBL4295926

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 5/20 0.67
LMNA P02545 2/20 0.67
CYP11B2 P19099 1/20 0.48
CYP3A4 P08684 6/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2D6 P10635 1/20 0.46
SCD5 Q86SK9 1/20 0.45
USP2 O75604 3/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.42
CRBN Q96SW2 1/20 0.42
TP53 P04637 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL4295931 1.00 MAPT (0.67) MAPTALDH1A1LMNACYP11B2CYP3A4
SCHEMBL30984960 0.94 MAPT (0.72) MAPTALDH1A1LMNACYP11B2SMN1; SMN2
SCHEMBL22471187 0.94 MAPT (0.69) MAPTALDH1A1LMNACYP11B2CYP3A4
SCHEMBL12005014 0.94 MAPT (0.69) MAPTALDH1A1LMNACYP11B2CYP3A4
SCHEMBL12005104 0.93 MAPT (0.74) MAPTALDH1A1LMNACYP11B2SMN1; SMN2
SCHEMBL12006692 0.93 ALDH1A1 (0.74) MAPTALDH1A1LMNACYP3A4CYP2C9
SCHEMBL10035910 0.90 MAPT (0.80) MAPTALDH1A1LMNACYP3A4CYP2C19
SCHEMBL28925340 0.89 MAPT (0.68) MAPTALDH1A1LMNACYP11B2CYP3A4
SCHEMBL12005382 0.87 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL30981158 0.86 MAPT (0.59) MAPTALDH1A1LMNASMN1; SMN2HTT

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 4710/4885ALDH1A1 1961/4885LMNA 2658/4885

“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.