SCHEMBL4824334

SCHEMBL4824334

COc1ccc2ccc(OC)c(CSc3ccccc3C3=NCCCN3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 5/20 0.43
MC4R P32245 1/20 0.36
KCNH2 Q12809 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HTR2A P28223 1/20 0.34
RUVBL1 Q9Y265 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL4070597 0.90 NISCH (0.51) NISCHMC4RKCNH2
SCHEMBL4068186 0.85 PTGDR2 (0.45) NISCHMC4RKCNH2PTGDR2
SCHEMBL4362402 0.85 MC4R (0.44) NISCHMC4RKCNH2
SCHEMBL4357709 0.84 NISCH (0.47) NISCHMC4RKCNH2
SCHEMBL4359203 0.81 NISCH (0.42) NISCH
SCHEMBL4369445 0.81 NISCH (0.46) NISCHMC4RKCNH2
SCHEMBL4357431 0.80 MC4R (0.41) NISCHMC4RKCNH2RUVBL1PTGDR2
SCHEMBL4362760 0.80 NISCH (0.41) NISCHMC4RKCNH2RUVBL1PTGDR2
SCHEMBL4365248 0.80 NISCH (0.41) NISCH
SCHEMBL14027691 0.80 NISCH (0.41) NISCHMC4RKCNH2RUVBL1

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 7 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
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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 (1 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 NISCH 1934/4885MC4R 1/4885KCNH2 3035/4885

“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.