SCHEMBL3367449

SCHEMBL3367449

CN(C)C(=O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.46
ALPL P05186 1/20 0.44
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
GAA P10253 2/20 0.36
TNKS O95271 1/20 0.36
HSD11B1 P28845 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL14206617 0.89 CRHR1 (0.43) CRHR1ALPLCNR1
SCHEMBL3364027 0.88 ALPL (0.47) CRHR1ALPLCNR1
SCHEMBL3367536 0.87 CRHR1 (0.49) CRHR1ALPLCNR1KDM4EF2RL3
SCHEMBL14206630 0.87 CRHR1 (0.49) CRHR1CNR1KDM4EMAPTALDH1A1
SCHEMBL3363721 0.86 CRHR1 (0.50) CRHR1
SCHEMBL3364750 0.86 CRHR1 (0.48) CRHR1KDM4EMAPTALDH1A1F2RL3
SCHEMBL3367293 0.84 CRHR1 (0.48) CRHR1ALPLCNR1ALDH1A1HPGD
SCHEMBL3367441 0.84 CRHR1 (0.47) CRHR1ALPLCNR1KDM4EALDH1A1
SCHEMBL3364408 0.84 CRHR1 (0.46) CRHR1CNR1MAPTALDH1A1F2RL3
SCHEMBL3361888 0.83 CRHR1 (0.52) 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-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-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

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 183/4885ALPL 2232/4885CNR1 21/4885

“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.