SCHEMBL5044713

SCHEMBL5044713

CCCC(c1cccs1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL5046702 0.80 CRHR1 (0.31) CRHR1
SCHEMBL5047438 0.77 CRHR1 (0.32) CRHR1
SCHEMBL14031244 0.75 CRHR1 (0.32) CRHR1
SCHEMBL6647415 0.74 PTGS1 (0.34) CRHR1TP53
SCHEMBL5039794 0.73 CRHR1 (0.31) CRHR1
SCHEMBL5047526 0.73 ESR1 (0.34) CRHR1
SCHEMBL5044137 0.73 CRHR1 (0.31) CRHR1
SCHEMBL5039393 0.73 CRHR1 (0.32) CRHR1
SCHEMBL5043648 0.72 ESR1 (0.35)
SCHEMBL5047529 0.72 CRHR1 (0.33) CRHR1LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US claimed
EP-1453832-B1 RING FUSED PYRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-09 EP claimed
US-20060135555-A1 (3,4-Dihydro-1H-isoquinolin-2-yl)-[2-methyl-7-(2,4,6-trimethyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]-methanone; Corticotropin releasing factor (CRF); stress-related illnesses, mood disorders such as depression, major depressive disorder, single episode depression ROCHE PALO ALTO LLC 2006-06-22 US claimed
EP-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 EP claimed
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC 2004-01-08 US claimed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO claimed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US disclosed
EP-1453832-B1 RING FUSED PYRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-09 EP disclosed
US-20060135555-A1 (3,4-Dihydro-1H-isoquinolin-2-yl)-[2-methyl-7-(2,4,6-trimethyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]-methanone; Corticotropin releasing factor (CRF); stress-related illnesses, mood disorders such as depression, major depressive disorder, single episode depression ROCHE PALO ALTO LLC 2006-06-22 US disclosed
US-7053103-B2 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC (US) 2006-05-30 US disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 US disclosed
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists LOUGHHEAD DAVID GARRETT (US) 2005-01-20 US disclosed
US-6821984-B2 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SYNTEX (U.S.A.) LLC 2004-11-23 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 (4 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-20060135555-A1 (3,4-Dihydro-1H-isoquinolin-2-yl)-[2-methyl-7-(2,4,6-trimethyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]-methanone; Corticotropin releasing factor (CRF); stress-related illnesses, mood disorders such as depression, major depressive disorder, single episode depression CRHR1, CRH, CRHR2 CRHR1 1/4885LMNA 3702/4885TP53 4830/4885
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 CRHR1 71/4885LMNA 2712/4885TP53 4844/4885
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R CRHR1 1/4885LMNA 4642/4885TP53 4371/4885
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R CRHR1 1/4885LMNA 4778/4885TP53 4664/4885

“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.