SCHEMBL3842410

SCHEMBL3842410

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-c1nn[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.44
IDO1 P14902 3/20 0.41
LDHA P00338 1/20 0.40
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38
XDH P47989 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL3839436 0.82 CRHR1 (0.46) CRHR1HSD11B1
SCHEMBL3846212 0.80 CRHR1 (0.44) CRHR1HSD11B1
SCHEMBL3839340 0.80 CRHR1 (0.42) CRHR1HSD11B1
SCHEMBL3364854 0.77 CRHR1 (0.56) CRHR1HSD11B1
SCHEMBL3843298 0.76 CRHR1 (0.45) CRHR1
SCHEMBL3364275 0.76 CRHR1 (0.58) CRHR1HSD11B1
SCHEMBL3840467 0.76 NOTUM (0.45) CRHR1HSD11B1
SCHEMBL3843303 0.76 CRHR1 (0.44) CRHR1
SCHEMBL14397006 0.76 CRHR1 (0.44) CRHR1
SCHEMBL13617640 0.76 CRHR1 (0.44) CRHR1IDO1

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 8 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
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
EP-2007753-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. Hoffmann-Roche AG (CH) 2008-12-31 EP disclosed
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO 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
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 96/4885IDO1 1872/4885LDHA 2922/4885

“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.