SCHEMBL3367005

SCHEMBL3367005

CCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.45
MARS1 P56192 1/20 0.43
ALPL P05186 1/20 0.41
DPP4 P27487 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3363050 0.88 MARS1 (0.50) CRHR1MARS1CNR1MAPT
SCHEMBL3363564 0.87 CRHR1 (0.44) CRHR1MARS1DPP4CNR1MAPT
SCHEMBL3367441 0.85 CRHR1 (0.47) CRHR1ALPLDPP4CNR1SLC6A3
SCHEMBL3364763 0.84 CRHR1 (0.44) CRHR1MARS1CNR1MAPT
SCHEMBL3363623 0.81 CRHR1 (0.42) CRHR1MARS1DPP4CNR1MAPT
SCHEMBL14231150 0.77 CRHR1 (0.38) CRHR1DPP4KDM4EMAPT
SCHEMBL8296178 0.77 CRHR1 (0.49) CRHR1MARS1KDM4E
SCHEMBL3363110 0.76 KDM4E (0.41) CRHR1ALPLSLC6A3KDM4EMAPT
SCHEMBL20604803 0.76 GRM2 (0.42) KDM4EMAPT
SCHEMBL3846236 0.76 CRHR1 (0.45) CRHR1ALPLDPP4CNR1KDM4E

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 183/4885MARS1 4700/4885ALPL 2232/4885

“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.