SCHEMBL4005455

SCHEMBL4005455

COc1ccc(Br)cc1C(S)c1c(F)cccc1C1=NCCCN1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.53
KCNH2 Q12809 1/20 0.44
NISCH Q9Y2I1 1/20 0.37
PDCD1LG2 Q9BQ51 6/20 0.37
CD274 Q9NZQ7 6/20 0.37
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RUVBL1 Q9Y265 1/20 0.35

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
SCHEMBL4363711 0.89 KCNH2 (0.53) MC4RKCNH2PDCD1LG2CD274RUVBL1
Hydrochloric Acid SCHEMBL4914061 0.85 MC4R (0.46) MC4RKCNH2NISCHPDCD1LG2CD274
SCHEMBL4368953 0.76 MC4R (0.89) MC4RKCNH2
Hydrochloric Acid SCHEMBL4902641 0.75 MC4R (0.87) MC4RKCNH2
SCHEMBL4363739 0.74 MC4R (0.65) MC4RKCNH2NISCHPDCD1LG2CD274
SCHEMBL4005459 0.74 MC4R (0.62) MC4RKCNH2NISCHPDCD1LG2CD274
SCHEMBL4357405 0.74 MAOB (0.39) MC4RKCNH2NISCHPDCD1LG2CD274
Hydrochloric Acid SCHEMBL4912583 0.74 MC4R (0.61) MC4RKCNH2NISCHPDCD1LG2CD274
SCHEMBL4373228 0.73 MC4R (0.52) MC4RKCNH2
Hydrochloric Acid SCHEMBL4910323 0.72 NISCH (0.46) NISCHRUVBL1

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 14 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
WO-2009080351-A1 COMPOUNDS WITH ANTI-EMETIC EFFECT SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 WO disclosed
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-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-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 MC4R 1/4885KCNH2 3035/4885NISCH 1934/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R MC4R 1/4885KCNH2 3648/4885NISCH 2500/4885

“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.