SCHEMBL3846201

SCHEMBL3846201

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1Cn1cncn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.43
CYP19A1 P11511 7/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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
SCHEMBL3843006 0.84 CRHR1 (0.44) CRHR1KCNH2
SCHEMBL3841756 0.83 CRHR1 (0.43) CRHR1KCNH2
SCHEMBL3839766 0.82 CRHR1 (0.46) CRHR1KCNH2
SCHEMBL3846409 0.81 CYP11B1 (0.45) CRHR1CYP19A1
SCHEMBL3844096 0.81 CRHR1 (0.43) CRHR1CYP19A1KCNH2
SCHEMBL5526845 0.81 CRHR1 (0.43) CRHR1KCNH2
SCHEMBL3839128 0.81 CRHR1 (0.51) CRHR1
Hydrochloric Acid SCHEMBL3362608 0.80 CRHR1 (0.46) CRHR1
SCHEMBL3364753 0.79 CRHR1 (0.50) CRHR1
SCHEMBL3364574 0.79 CRHR1 (0.50) CRHR1

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 6 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
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 96/4885CYP19A1 218/4885KCNH2 461/4885

“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.