SCHEMBL977800

SCHEMBL977800

OCc1cn2c[c]ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 6/20 0.37
TP53 P04637 2/20 0.37
CCR1 P32246 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 3/20 0.32
NPC1 O15118 6/20 0.31
RAB9A P51151 6/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA2A P29274 1/20 0.31
MAPT P10636 2/20 0.30
PDE10A Q9Y233 1/20 0.30
MAPK1 P28482 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30
CYP2C19 P33261 1/20 0.30
NOTUM Q6P988 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
SCHEMBL974075 0.83 KDM4E (0.39) KDM4ETP53ALDH1A1POLBNPC1
SCHEMBL102061 0.73 KDM4E (0.56) KDM4ETP53HPGDALDH1A1NPC1
SCHEMBL975927 0.73 KDM4E (0.37) MCHR1KDM4ETP53HPGDALDH1A1
SCHEMBL974506 0.72 HDAC1 (0.33) MCHR1KDM4ETP53CCR1HPGD
SCHEMBL871183 0.72 GRM5 (0.47) MCHR1KDM4ETP53ALDH1A1POLB
SCHEMBL9598573 0.72 PIK3CG (0.55) MCHR1KDM4ETP53ALDH1A1NPC1
SCHEMBL14758258 0.72 MCHR1 (0.42) MCHR1KDM4ETP53ALDH1A1POLB
SCHEMBL9598420 0.72 KDM4E (0.63) KDM4ETP53ALDH1A1POLBNPC1
SCHEMBL976088 0.68 MCHR1 (0.36) MCHR1KDM4EALDH1A1NPC1RAB9A
SCHEMBL19292088 0.67 MCHR1 (0.39) MCHR1KDM4ETP53ALDH1A1POLB

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 3657/4885KDM4E 246/4885TP53 1859/4885

“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.