SCHEMBL3840467

SCHEMBL3840467

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-c1nnco1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.45
CRHR1 P34998 12/20 0.44
HSD11B1 P28845 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3846048 0.80 CRHR1 (0.44) NOTUMCRHR1
SCHEMBL3841595 0.79 CRHR1 (0.49) CRHR1
SCHEMBL3839436 0.77 CRHR1 (0.46) CRHR1HSD11B1
SCHEMBL3364854 0.77 CRHR1 (0.56) CRHR1HSD11B1KDM4EALDH1A1GAA
SCHEMBL3364275 0.76 CRHR1 (0.58) CRHR1HSD11B1
SCHEMBL3846212 0.76 CRHR1 (0.44) CRHR1HSD11B1
SCHEMBL3842410 0.76 CRHR1 (0.44) CRHR1HSD11B1
SCHEMBL3847215 0.75 CRHR1 (0.44) CRHR1
SCHEMBL368235 0.74 CRHR1 (0.53) CRHR1HSD11B1
SCHEMBL3399007 0.74 CRHR1 (0.53) CRHR1HSD11B1KDM4EALDH1A1GAA

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 NOTUM 4541/4885CRHR1 96/4885HSD11B1 480/4885

“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.