SCHEMBL13618061

SCHEMBL13618061

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1N1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.46
F2RL3 Q96RI0 1/20 0.39
TNKS O95271 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CCNB2 O95067 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL3843263 0.80 CRHR1 (0.49) CRHR1F2RL3TNKSHSD11B1
SCHEMBL3364854 0.79 CRHR1 (0.56) CRHR1F2RL3TNKSKDM4EALDH1A1
SCHEMBL3364275 0.77 CRHR1 (0.58) CRHR1F2RL3TNKSHSD11B1
SCHEMBL368235 0.76 CRHR1 (0.53) CRHR1F2RL3TNKSHSD11B1
Hydrochloric Acid SCHEMBL3363293 0.76 CRHR1 (0.57) CRHR1F2RL3TNKSHSD11B1
SCHEMBL8297373 0.76 CRHR1 (0.53) CRHR1F2RL3TNKSKDM4EALDH1A1
SCHEMBL3367923 0.76 CRHR1 (0.53) CRHR1F2RL3TNKSHSD11B1
SCHEMBL3399007 0.76 CRHR1 (0.53) CRHR1F2RL3TNKSKDM4EALDH1A1
SCHEMBL3839255 0.76 CRHR1 (0.45) CRHR1F2RL3TNKSHSD17B10MEN1
SCHEMBL3366932 0.76 CRHR1 (0.52) CRHR1F2RL3TNKSKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 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-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA1, GABRA2, GABRA3 CRHR1 96/4885F2RL3 936/4885TNKS 4081/4885

“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.