SCHEMBL4065129

SCHEMBL4065129

CC(c1ccccc1C1=NCCN1)c1cccc2cocc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.52
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDCD1LG2 Q9BQ51 3/20 0.37
CD274 Q9NZQ7 3/20 0.37

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
SCHEMBL4067054 0.85 NISCH (0.46) NISCHADRA2AADRA2BADRA2CPDCD1LG2
SCHEMBL4065124 0.78 NISCH (0.55) NISCHADRA2AADRA2BADRA2CKDM4E
SCHEMBL8089965 0.72 NISCH (0.51) NISCHADRA2AADRA2BADRA2CCYP1A2
SCHEMBL4067052 0.70 MC4R (0.53) NISCHADRA2AADRA2BADRA2CCYP2D6
SCHEMBL9575177 0.70 NISCH (1.00) NISCHADRA2AADRA2BADRA2CKDM4E
SCHEMBL8186147 0.68 NISCH (0.87) NISCHADRA2AADRA2BADRA2CKDM4E
SCHEMBL9579892 0.67 NISCH (0.81) NISCH
SCHEMBL12915758 0.67 ADRA2A (0.97) NISCHADRA2AADRA2BADRA2CCYP2D6
SCHEMBL952874 0.67 ADRA2A (0.97) NISCHADRA2AADRA2BADRA2CCYP2D6
SCHEMBL4163029 0.66 NISCH (0.51) NISCHADRA2AADRA2BADRA2CCYP2D6

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 1934/4885ADRA2A 315/4885ADRA2B 194/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R NISCH 2500/4885ADRA2A 284/4885ADRA2B 196/4885

“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.