SCHEMBL3362302

SCHEMBL3362302

C=Cc1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.41
HRH4 Q9H3N8 1/20 0.33
REN P00797 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
SCHEMBL13538394 0.84 CRHR1 (0.39) CRHR1HRH4
SCHEMBL3364082 0.81 CRHR1 (0.45) CRHR1HRH4REN
Hydrochloric Acid SCHEMBL3365007 0.80 CRHR1 (0.44) CRHR1HRH4REN
SCHEMBL4702940 0.79 CRHR1 (0.43) CRHR1HRH4REN
SCHEMBL3363800 0.79 CRHR1 (0.43) CRHR1HRH4REN
SCHEMBL3362933 0.79 CRHR1 (0.43) CRHR1HRH4REN
Hydrochloric Acid SCHEMBL3364271 0.78 CRHR1 (0.42) CRHR1HRH4REN
SCHEMBL4700361 0.77 CRHR1 (0.40) CRHR1HRH4
SCHEMBL3364667 0.77 CRHR1 (0.40) CRHR1HRH4
SCHEMBL3366236 0.77 CRHR1 (0.44) CRHR1HRH4REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO 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-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 CRHR1 183/4885HRH4 326/4885REN 3748/4885

“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.