SCHEMBL4366403

SCHEMBL4366403

COc1ccc(Br)cc1CSc1c(Cl)cccc1CN1CCC(O)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.52
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CD274 Q9NZQ7 4/20 0.42
PDCD1LG2 Q9BQ51 2/20 0.42
PDCD1 Q15116 2/20 0.41
TACR1 P25103 2/20 0.41
MC4R P32245 1/20 0.40

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
SCHEMBL14027305 1.00 CCR5 (0.52) CCR5KDM4EALDH1A1MEN1TSHR
Formic Acid SCHEMBL4815811 0.96 CCR5 (0.48) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL14181860 0.95 CCR5 (0.53) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL4365816 0.89 CCR5 (0.44) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL14027632 0.86 KDM4E (0.49) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL14027324 0.85 CCR5 (0.51) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL4365822 0.85 CCR5 (0.51) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL4302766 0.85 KDM4E (0.58) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL4815814 0.85 KMT2A (0.43) CCR5KDM4EALDH1A1MEN1TSHR
SCHEMBL4822552 0.84 KDM4E (0.63) CCR5KDM4EALDH1A1MEN1TSHR

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-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP claimed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO claimed
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP claimed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 WO claimed
EP-2072050-A1 Compounds with anti-emetic effect Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-06-24 EP disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
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
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 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 CCR5 297/4885KDM4E 1351/4885ALDH1A1 3912/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R CCR5 307/4885KDM4E 1327/4885ALDH1A1 3816/4885

“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.