SCHEMBL973963

SCHEMBL973963

OCc1cn2cc(I)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
APP P05067 3/20 0.43
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 7/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20713612 0.81 APP (0.46) DRD2DRD4DRD3APPKDM4E
SCHEMBL16200827 0.81 DRD2 (0.43) DRD2DRD4DRD3APPKDM4E
SCHEMBL870522 0.79 NPC1 (0.50) APPMCHR1KDM4ETP53ALDH1A1
SCHEMBL9598573 0.78 PIK3CG (0.55) DRD2DRD4DRD3APPMCHR1
SCHEMBL9598420 0.78 KDM4E (0.63) KDM4ETP53ALDH1A1POLBNPC1
SCHEMBL871183 0.78 GRM5 (0.47) DRD2DRD4DRD3APPMCHR1
SCHEMBL14758258 0.78 MCHR1 (0.42) MCHR1KDM4ETP53ALDH1A1POLB
SCHEMBL102061 0.76 KDM4E (0.56) KDM4ETP53ALDH1A1NPC1RAB9A
SCHEMBL25045602 0.74 APP (0.49) DRD2DRD4DRD3APPKDM4E
SCHEMBL21355035 0.73 METTL3 (0.47) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 3160/4885DRD4 2412/4885DRD3 2337/4885

“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.