SCHEMBL4822629

SCHEMBL4822629

COc1ccc(Cl)cc1CCc1ccccc1C1=NCCN1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.61
▸ MC4R P32245 1/20 0.56
▸ NISCH Q9Y2I1 2/20 0.45
▸ PDCD1LG2 Q9BQ51 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL4823850 0.87 MC4R (0.57) KCNH2MC4RNISCH
SCHEMBL4824759 0.87 MC4R (0.62) KCNH2MC4RNISCHPDCD1LG2CD274
SCHEMBL4819955 0.86 MC4R (0.74) KCNH2MC4RNISCH
SCHEMBL4820256 0.84 NISCH (0.46) KCNH2NISCH
SCHEMBL4823650 0.83 NISCH (0.55) MC4RNISCHPDCD1LG2CD274
SCHEMBL4823634 0.82 NISCH (0.47) KCNH2NISCH
SCHEMBL4362731 0.81 KCNH2 (0.46) KCNH2MC4RNISCH
SCHEMBL4364676 0.80 MC4R (0.65) KCNH2MC4R
SCHEMBL4818492 0.78 NISCH (0.44) KCNH2NISCH
SCHEMBL4822873 0.77 NISCH (0.61) 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.

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