Sugi Predict

Sugi Predict / Compounds / SCHEMBL5043587

SCHEMBL5043587

SCHEMBL5043587

CCCN(Cc1ccco1)c1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ UBE2M P61081 1/20 0.32
▸ DCUN1D1 Q96GG9 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL5519893 0.93 CRHR1 (0.36) CRHR1ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL5518403 0.86 CRHR1 (0.39) CRHR1
SCHEMBL5518440 0.84 SMN1; SMN2 (0.34) CRHR1ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL14031218 0.83 CRHR1 (0.35) CRHR1
SCHEMBL14031318 0.83 CRHR1 (0.37) CRHR1HTTLMNA
SCHEMBL14031321 0.82 CRHR1 (0.38) CRHR1ALDH1A1
SCHEMBL14031223 0.80 CRHR1 (0.33) CRHR1SMN1; SMN2L3MBTL1
SCHEMBL14031332 0.80 CRHR1 (0.33) CRHR1
SCHEMBL14415622 0.80 CRHR1 (0.33) CRHR1
SCHEMBL14031226 0.80 CRHR1 (0.33) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453832-B1 RING FUSED PYRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-09 — — EP claimed
US-6821984-B2 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SYNTEX (U.S.A.) LLC 2004-11-23 — — US claimed
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC 2004-01-08 — — US 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-1718299-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-08 — — EP 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
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 — — WO 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
EP-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 — — EP disclosed
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC 2004-01-08 — — US disclosed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 — — 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 (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 1/4885ALDH1A1 1682/4885NPSR1 139/4885
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 CRHR1 71/4885ALDH1A1 545/4885NPSR1 63/4885
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R CRHR1 1/4885ALDH1A1 1791/4885NPSR1 25/4885
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R CRHR1 1/4885ALDH1A1 1414/4885NPSR1 23/4885

“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.