SCHEMBL976088

SCHEMBL976088

CC(C)(C)c1cn2c[c]ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
SSTR4 P31391 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5C P41229 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAP3K5 Q99683 1/20 0.30

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
SCHEMBL15065576 0.81 SCN5A (0.45) MCHR1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL13050260 0.75 NPC1 (0.53) MCHR1KDM4EMEN1NPC1MITF
SCHEMBL974506 0.75 HDAC1 (0.33) MCHR1KDM4EMEN1NPC1MITF
SCHEMBL2707031 0.72 MCHR1 (0.49) MCHR1KDM4EMEN1NPC1MITF
SCHEMBL10129490 0.72 SSTR4 (0.48) SSTR4KDM4EMEN1NPC1ALDH1A1
SCHEMBL974075 0.70 KDM4E (0.39) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL13050251 0.70 RAB9A (0.51) MCHR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL13050269 0.70 APP (0.46) MCHR1KDM4EMEN1NPC1MITF
SCHEMBL1500059 0.70 PIK3CG (0.55) MCHR1KDM4EMEN1NPC1MITF
SCHEMBL13050280 0.68 APP (0.49) MCHR1KDM4EMEN1NPC1MITF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US 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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 MCHR1 3657/4885SSTR4 1347/4885KDM4E 246/4885

“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.