SCHEMBL4005459

SCHEMBL4005459

COc1ccc(Br)cc1SCc1c(F)cccc1C1=NCCCN1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.62
KCNH2 Q12809 1/20 0.50
PDCD1LG2 Q9BQ51 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
NISCH Q9Y2I1 1/20 0.36
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RUVBL1 Q9Y265 1/20 0.34

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
Hydrochloric Acid SCHEMBL4912583 0.99 MC4R (0.61) MC4RKCNH2PDCD1LG2CD274NISCH
SCHEMBL4363715 0.89 KCNH2 (0.62) MC4RKCNH2PDCD1LG2CD274KMT2A
Hydrochloric Acid SCHEMBL4907205 0.88 KCNH2 (0.61) MC4RKCNH2KMT2AGFERMAPT
SCHEMBL4154587 0.85 MC4R (0.52) MC4RKCNH2PDCD1LG2CD274NISCH
Hydrochloric Acid SCHEMBL4914066 0.84 MC4R (0.51) MC4RKCNH2PDCD1LG2CD274NISCH
SCHEMBL4368953 0.83 MC4R (0.89) MC4RKCNH2
Hydrochloric Acid SCHEMBL4902641 0.82 MC4R (0.87) MC4RKCNH2
SCHEMBL4363739 0.81 MC4R (0.65) MC4RKCNH2PDCD1LG2CD274NISCH
SCHEMBL4064122 0.79 MC4R (0.56) MC4RKCNH2NISCHKMT2A
SCHEMBL4362042 0.78 MC4R (0.52) MC4RKCNH2KMT2AGFERRUVBL1

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 18 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-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-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 3035/4885PDCD1LG2 1529/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R MC4R 1/4885KCNH2 3648/4885PDCD1LG2 1037/4885

“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.