SCHEMBL4821785

SCHEMBL4821785

Fc1cccc(C2=NCCN2)c1CCc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.59
MC4R P32245 1/20 0.57
MAPK1 P28482 2/20 0.49
TAAR1 Q96RJ0 2/20 0.49
LMNA P02545 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
KCNH2 Q12809 1/20 0.42
PDCD1LG2 Q9BQ51 2/20 0.41
CD274 Q9NZQ7 2/20 0.41

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
SCHEMBL4364210 0.93 NISCH (0.50) NISCHMC4RMAPK1TAAR1LMNA
Hydrochloric Acid SCHEMBL4910065 0.92 MC4R (0.49) NISCHMC4RMAPK1TAAR1LMNA
SCHEMBL4822845 0.87 MC4R (0.64) NISCHMC4RMAPK1TAAR1LMNA
SCHEMBL4067052 0.86 MC4R (0.53) NISCHMC4RMAPK1TAAR1LMNA
SCHEMBL4822940 0.86 NISCH (0.70) NISCHMAPK1TAAR1LMNAHTR1A
SCHEMBL4359244 0.86 NISCH (0.59) NISCHMC4RMAPK1TAAR1LMNA
SCHEMBL4821334 0.82 MC4R (0.53) NISCHMC4RKCNH2PDCD1LG2CD274
SCHEMBL4067051 0.82 MC4R (0.53) NISCHMC4RKCNH2PDCD1LG2CD274
SCHEMBL4825519 0.82 MC4R (0.53) NISCHMC4RKCNH2PDCD1LG2CD274
SCHEMBL4822592 0.81 NISCH (0.61) NISCHMC4RTAAR1LMNAADRA2A

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 NISCH 1934/4885MC4R 1/4885MAPK1 3367/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R NISCH 2500/4885MC4R 1/4885MAPK1 3201/4885

“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.