SCHEMBL4065124

SCHEMBL4065124

c1ccc(C2=NCCN2)c(CCc2cccc3cocc23)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.55
MAPK1 P28482 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.42
MAPT P10636 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4067052 0.86 MC4R (0.53) NISCHMAPK1TAAR1ADRA2ACYP2D6
SCHEMBL4822940 0.85 NISCH (0.70) NISCHMAPK1TAAR1ADRA2ACYP2D6
SCHEMBL4065129 0.78 NISCH (0.52) NISCHADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL4360889 0.78 NISCH (0.58) NISCHMAPK1TAAR1ADRA2ACYP2D6
SCHEMBL4065121 0.78 NISCH (0.51) NISCHMAPK1TAAR1ADRA2ACYP2D6
SCHEMBL4821305 0.77 NISCH (0.54) NISCHMAPK1TAAR1ADRA2ACYP2D6
SCHEMBL954697 0.75 TAAR1 (0.69) NISCHMAPK1TAAR1ADRA2ACYP2D6
SCHEMBL4819247 0.74 NISCH (0.54) NISCHTAAR1CYP2D6LMNAKDM4E
SCHEMBL4824691 0.74 NISCH (0.56) NISCHMAPK1TAAR1ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL956801 0.74 TAAR1 (0.70) NISCHMAPK1TAAR1ADRA2ACYP2D6

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 6 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-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 1934/4885MAPK1 3367/4885TAAR1 216/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R NISCH 2500/4885MAPK1 3201/4885TAAR1 248/4885

“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.