SCHEMBL4824593

SCHEMBL4824593

COc1ccc(-c2ccccc2F)cc1-c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
PTGS2 P35354 3/20 0.46
ERN1 O75460 1/20 0.46
PTGS1 P23219 1/20 0.46
PTPRC P08575 2/20 0.43
PTPN1 P18031 2/20 0.43
IDO1 P14902 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
ACMSD Q8TDX5 1/20 0.39
CTSA P10619 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL27637393 0.79 PTGS2 (0.61) HTR2CPTGS2ERN1PTGS1PTPRC
SCHEMBL29788143 0.79 ERN1 (0.54) HTR2CPTGS2ERN1PTGS1PTPRC
SCHEMBL433551 0.79 L3MBTL1 (0.43) ERN1PTPRCPTPN1IDO1L3MBTL1
SCHEMBL5326539 0.78 ERN1 (0.52) ERN1SQORPGRNPC1MEN1
SCHEMBL533511 0.77 APP (0.48) ERN1PTPRCPTPN1PGRAR
SCHEMBL694802 0.76 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL20550260 0.76 PTPRC (0.54) PTGS2PTGS1PTPRCPTPN1PGR
SCHEMBL18155555 0.75 HTR2C (0.50) HTR2CPTGS2ERN1PTGS1PTPRC
SCHEMBL27805357 0.75 PTGS2 (0.58) HTR2CPTGS2ERN1PTGS1PTPRC
SCHEMBL17012446 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 WO disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP disclosed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO disclosed
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 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 (2 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R HTR2C 88/4885PTGS2 3886/4885ERN1 4859/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R HTR2C 111/4885PTGS2 2967/4885ERN1 4855/4885

“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.