SCHEMBL3366236

SCHEMBL3366236

Cc1cc(C)c(-c2cccc3c(N(C)C)n(C)nc23)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.44
HRH4 Q9H3N8 1/20 0.34
KDM1A O60341 1/20 0.33
REN P00797 1/20 0.31
ENPP1 P22413 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30

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
Hydrochloric Acid SCHEMBL3365029 0.99 CRHR1 (0.43) CRHR1HRH4KDM1AREN
SCHEMBL4701741 0.83 CRHR1 (0.60) CRHR1
SCHEMBL3364082 0.82 CRHR1 (0.45) CRHR1HRH4RENCYP1A2CYP2A6
Hydrochloric Acid SCHEMBL4700017 0.82 CRHR1 (0.59) CRHR1
Hydrochloric Acid SCHEMBL3365007 0.81 CRHR1 (0.44) CRHR1HRH4RENCYP1A2CYP2A6
SCHEMBL4697786 0.80 CRHR1 (0.62) CRHR1
SCHEMBL3363800 0.80 CRHR1 (0.43) CRHR1HRH4RENCYP1A2CYP2A6
SCHEMBL3362933 0.80 CRHR1 (0.43) CRHR1HRH4RENCYP1A2CYP2A6
SCHEMBL4702940 0.80 CRHR1 (0.43) CRHR1HRH4RENCYP1A2CYP2A6
Hydrochloric Acid SCHEMBL4701196 0.80 CRHR1 (0.61) 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 183/4885HRH4 326/4885KDM1A 363/4885

“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.