SCHEMBL4066182

SCHEMBL4066182

C#Cc1cc(CCc2c(F)cccc2C2=NCCN2)c2occc2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.50
NISCH Q9Y2I1 11/20 0.41
KCNH2 Q12809 1/20 0.40
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
MAOB P27338 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
SCHEMBL4068194 0.91 MC4R (0.51) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL13771403 0.87 MC4R (0.54) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL13771398 0.87 MC4R (0.52) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL4071834 0.87 MC4R (0.61) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL4068780 0.86 MC4R (0.51) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL4067051 0.85 MC4R (0.53) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL4070729 0.83 MC4R (0.49) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL4067168 0.83 MC4R (0.50) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL4062245 0.82 KCNH2 (0.51) MC4RNISCHKCNH2PDCD1LG2CD274
SCHEMBL13771388 0.82 MC4R (0.31) MC4R

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 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

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 1/4885NISCH 1934/4885KCNH2 3035/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R MC4R 1/4885NISCH 2500/4885KCNH2 3648/4885

“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.