SCHEMBL3364499

SCHEMBL3364499

COC(=O)N(Nc1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C)OC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.41
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL3362569 0.89 CRHR1 (0.40) CRHR1GABRG2GABRB3GABRA2
SCHEMBL4697350 0.78 ATM (0.42) CRHR1GABRG2GABRB3GABRA2
SCHEMBL4701274 0.76 LCK (0.37) CRHR1
SCHEMBL4697890 0.74 CRHR1 (0.48) CRHR1GABRG2GABRB3GABRA2
Hydrochloric Acid SCHEMBL6186878 0.73 CRHR1 (0.47) CRHR1GABRG2GABRB3GABRA2
SCHEMBL3364390 0.73 CRHR1 (0.40) CRHR1GABRG2GABRB3GABRA2
SCHEMBL4700361 0.73 CRHR1 (0.40) CRHR1GABRG2GABRB3GABRA2
SCHEMBL3364082 0.71 CRHR1 (0.45) CRHR1
Hydrochloric Acid SCHEMBL3365007 0.70 CRHR1 (0.44) CRHR1
SCHEMBL3364667 0.70 CRHR1 (0.40) 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 4 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-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

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 183/4885GABRG2 24/4885GABRB3 11/4885

“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.