SCHEMBL4781074

SCHEMBL4781074

CN(CC(N)=O)Cc1ccc2c(c1)CCC(C(N)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.45
KCNH2 Q12809 6/20 0.45
DRD3 P35462 7/20 0.43
DRD2 P14416 5/20 0.43
HTR2C P28335 4/20 0.42
AOC3 Q16853 4/20 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
SCHEMBL5634328 0.89 DRD3 (0.46) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4793677 0.88 MCHR1 (0.52) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4725409 0.88 MCHR1 (0.52) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4795358 0.86 DRD3 (0.45) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL5935171 0.85 DRD3 (0.42) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4794868 0.84 DRD3 (0.41) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4779647 0.84 DRD3 (0.42) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4781349 0.84 DRD3 (0.46) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4792233 0.84 DRD3 (0.44) MCHR1KCNH2DRD3DRD2HTR2C
SCHEMBL4793754 0.84 DRD3 (0.46) MCHR1KCNH2DRD3DRD2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 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 (1 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-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 4050/4885DRD3 102/4885

“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.