SCHEMBL3362973

SCHEMBL3362973

CC(=O)NN(CC1CC1)OC(=O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.42
MCHR1 Q99705 1/20 0.35
CHRM3 P20309 1/20 0.35
CNR1 P21554 1/20 0.35
NR1H4 Q96RI1 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL13538501 0.80 CHRM1 (0.42) CRHR1CHRM3CNR1
SCHEMBL3367441 0.79 CRHR1 (0.47) CRHR1CNR1SLC6A3
SCHEMBL3362969 0.79 CRHR1 (0.46) CRHR1MCHR1CHRM3CNR1
SCHEMBL3362470 0.78 CRHR1 (0.53) CRHR1
SCHEMBL14206630 0.76 CRHR1 (0.49) CRHR1CNR1
SCHEMBL3366138 0.74 CRHR1 (0.42) CRHR1CHRM3
SCHEMBL3846236 0.74 CRHR1 (0.45) CRHR1CNR1
SCHEMBL3364555 0.74 CRHR1 (0.45) CRHR1MCHR1CHRM3
SCHEMBL3367536 0.73 CRHR1 (0.49) CRHR1CNR1
SCHEMBL14206617 0.73 CRHR1 (0.43) CRHR1CNR1

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 183/4885MCHR1 374/4885CHRM3 296/4885

“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.