SCHEMBL5046964

SCHEMBL5046964

S=C1CCCCN1c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.42
ACHE P22303 2/20 0.41
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.38
CRHR1 P34998 2/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1C3 P42330 1/20 0.37
OPRM1 P35372 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
SCHEMBL5698156 0.79 ALDH1A1 (0.59) ALDH1A1LMNAHTTKDM4EPOLB
SCHEMBL2193401 0.76 KMT2A (0.47) ALDH1A1LMNAHTTKDM4EPOLB
SCHEMBL6309417 0.75 ALDH1A1 (0.63) ALDH1A1LMNAHTTKDM4EPOLB
SCHEMBL25198803 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHTTKDM4EACHE
SCHEMBL1513133 0.74 CHRM2 (0.41) ALDH1A1LMNAHTTKDM4ENPC1
SCHEMBL11483390 0.70 HSD11B1 (0.43) HTTPOLBACHEHPGDOPRM1
SCHEMBL11591969 0.68 ACHE (0.39) LMNAACHEMAPTOPRM1
SCHEMBL7714573 0.68 ABL1 (0.55) ALDH1A1LMNAHTTKDM4ENPC1
SCHEMBL3866106 0.68 ALDH1A1 (0.60) ALDH1A1LMNAHTTKDM4EPOLB
SCHEMBL232523 0.67 HTR3A (0.60) HTTAKR1C3

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-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-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 ALDH1A1 1682/4885LMNA 3702/4885HTT 2566/4885
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 ALDH1A1 545/4885LMNA 2712/4885HTT 2014/4885
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R ALDH1A1 1791/4885LMNA 4642/4885HTT 2534/4885
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R ALDH1A1 1414/4885LMNA 4778/4885HTT 2829/4885

“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.