SCHEMBL975075

SCHEMBL975075

COCc1cn2cc[c]cc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KDM4E B2RXH2 9/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 7/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 3/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
ADRA1D P25100 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
SCHEMBL974212 0.81 KDM4E (0.36) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL975927 0.79 KDM4E (0.37) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9517104 0.75 KDM4E (0.60) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15767586 0.71 AKR1B1 (0.42) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL974066 0.71 KDM4E (0.46) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL977789 0.71 HDAC1 (0.36) SMN1; SMN2TP53
SCHEMBL17319222 0.69 NPC1 (0.47) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL10513008 0.67 PIK3CG (0.50) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15767867 0.65 SMN1; SMN2 (0.56) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL25384937 0.64 SUV39H2 (0.39) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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 TSHR 3838/4885KDM4E 246/4885SMN1; SMN2 1410/4885

“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.