SCHEMBL3364753

SCHEMBL3364753

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1CN

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.50
DPP4 P27487 7/20 0.43
DPP8 Q6V1X1 4/20 0.43
HSD11B1 P28845 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL3366185 0.90 CRHR1 (0.48) CRHR1DPP4DPP8HSD11B1
SCHEMBL3839128 0.88 CRHR1 (0.51) CRHR1HSD11B1
SCHEMBL7059971 0.88 CRHR1 (0.46) CRHR1DPP4DPP8HSD11B1
SCHEMBL3364574 0.87 CRHR1 (0.50) CRHR1HSD11B1
SCHEMBL3363727 0.86 CRHR1 (0.47) CRHR1HSD11B1
Hydrochloric Acid SCHEMBL3362608 0.85 CRHR1 (0.46) CRHR1HSD11B1
SCHEMBL3364016 0.85 CRHR1 (0.48) CRHR1HSD11B1
SCHEMBL3364556 0.85 CRHR1 (0.49) CRHR1HSD11B1
SCHEMBL6024733 0.85 CRHR1 (0.48) CRHR1HSD11B1
SCHEMBL3364388 0.85 CRHR1 (0.48) CRHR1HSD11B1

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 183/4885DPP4 1198/4885DPP8 2436/4885

“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.