SCHEMBL3363935

SCHEMBL3363935

CN(C)C(=O)Nc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.44
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.37
ALPL P05186 1/20 0.37
CNR1 P21554 2/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3364208 0.88 CRHR1 (0.49) CRHR1MEN1KMT2ACNR1HTT
SCHEMBL14206654 0.88 CRHR1 (0.46) CRHR1MEN1KMT2ACNR1
SCHEMBL3366726 0.87 CRHR1 (0.45) CRHR1GAAMAPTMEN1KMT2A
SCHEMBL3366050 0.86 CRHR1 (0.46) CRHR1GAAMEN1KMT2AALPL
SCHEMBL4697892 0.85 CRHR1 (0.44) CRHR1GAAMAPTMEN1KMT2A
SCHEMBL3364385 0.82 CRHR1 (0.41) CRHR1GAAMAPTCNR1
SCHEMBL3367449 0.81 CRHR1 (0.46) CRHR1GAAMAPTMEN1KMT2A
SCHEMBL3364212 0.79 CRHR1 (0.46) CRHR1GAACNR1HPGD
SCHEMBL3367997 0.78 CRHR1 (0.44) CRHR1GAAKMT2ATSHRALPL
SCHEMBL3367536 0.77 CRHR1 (0.49) CRHR1ALPLCNR1

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 7 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
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

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 183/4885GAA 2621/4885MAPT 958/4885

“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.