SCHEMBL3364013

SCHEMBL3364013

[C]Cc1nccc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.41
ADRB1 P08588 1/20 0.40
PKM P14618 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 1/20 0.38
SYK P43405 5/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
OGA O60502 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
IDH1 O75874 2/20 0.34
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
IDH2 P48735 1/20 0.33

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
SCHEMBL1509561 0.80 LOXL2 (0.52) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL2632840 0.80 MBOAT4 (0.44) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL28910755 0.80 MBOAT4 (0.41) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL18115234 0.80 SORD (0.46) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL27776255 0.79 PKM (0.40) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL15120064 0.77 MBOAT4 (0.42) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL18647595 0.77 MBOAT4 (0.42) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL12088819 0.76 MBOAT4 (0.41) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL76737 0.76 MBOAT4 (0.39) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL17665617 0.74 SYK (0.47) MBOAT4ADRB1PKMSYKTAS2R14

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 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
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 WO 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
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
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 US 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 (5 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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH MBOAT4 4152/4885ADRB1 8/4885PKM 2484/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 MBOAT4 3940/4885ADRB1 7/4885PKM 2817/4885
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R MBOAT4 3883/4885ADRB1 7/4885PKM 1559/4885
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 MBOAT4 3778/4885ADRB1 333/4885PKM 1049/4885
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R MBOAT4 3551/4885ADRB1 7/4885PKM 1514/4885

“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.