SCHEMBL3363564

SCHEMBL3363564

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.44
MARS1 P56192 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL14231150 0.90 CRHR1 (0.38) CRHR1DPP4DPP8TSHRMAPK1
SCHEMBL3363050 0.88 MARS1 (0.50) CRHR1MARS1TSHRCNR1MAPT
SCHEMBL3367005 0.87 CRHR1 (0.45) CRHR1MARS1DPP4CNR1MAPT
SCHEMBL3364408 0.85 CRHR1 (0.46) CRHR1DPP4DPP8SCN10AHTT
SCHEMBL3363623 0.83 CRHR1 (0.42) CRHR1MARS1DPP4DPP8CNR1
SCHEMBL3364763 0.80 CRHR1 (0.44) CRHR1MARS1CNR1MAPT
SCHEMBL3846236 0.78 CRHR1 (0.45) CRHR1DPP4DPP8CNR1MAPT
SCHEMBL8296178 0.77 CRHR1 (0.49) CRHR1MARS1
SCHEMBL14231221 0.76 RAB9A (0.40) CRHR1DPP4DPP8TDP1L3MBTL1
SCHEMBL3367536 0.75 CRHR1 (0.49) CRHR1MARS1MAPK1CNR1

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
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

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 4700/4885DPP4 1198/4885

“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.