SCHEMBL4822652

SCHEMBL4822652

COc1cccc(-c2ccc(Br)cc2CCc2c(Cl)cccc2C2=NCCN2)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.73
MC4R P32245 12/20 0.58
NISCH Q9Y2I1 1/20 0.51
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 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
SCHEMBL4823684 0.92 KCNH2 (0.75) KCNH2MC4RNISCHPDCD1LG2CD274
SCHEMBL4824330 0.88 KCNH2 (0.68) KCNH2MC4RNISCHMAOAMAOB
SCHEMBL4822543 0.85 KCNH2 (0.82) KCNH2MC4RPDCD1LG2CD274
SCHEMBL4817708 0.85 KCNH2 (0.69) KCNH2MC4RNISCHMAOAMAOB
SCHEMBL4071377 0.85 KCNH2 (1.00) KCNH2MC4R
SCHEMBL4819225 0.83 KCNH2 (0.73) KCNH2MC4RNISCHMAOAMAOB
SCHEMBL4165894 0.79 KCNH2 (0.89) KCNH2MC4R
Hydrochloric Acid SCHEMBL4911127 0.79 KCNH2 (0.87) KCNH2MC4R
SCHEMBL4822015 0.77 KCNH2 (0.77) KCNH2MC4RNISCH
SCHEMBL4823569 0.77 KCNH2 (0.77) KCNH2MC4RNISCH

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 9 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-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

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 KCNH2 3035/4885MC4R 1/4885NISCH 1934/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R KCNH2 3648/4885MC4R 1/4885NISCH 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.