SCHEMBL4780952

SCHEMBL4780952

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.45
ACHE P22303 2/20 0.44
MCHR1 Q99705 2/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
DRD3 P35462 3/20 0.40
DRD2 P14416 2/20 0.40
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5634086 0.79 OPRK1 (0.50) OPRK1ACHEDRD3DRD2NFKB1
SCHEMBL4794047 0.79 OPRK1 (0.53) OPRK1ACHEMCHR1HTR2CKCNH2
SCHEMBL4779647 0.77 DRD3 (0.42) MCHR1HTR2CKCNH2DRD3DRD2
SCHEMBL9452833 0.72 OPRK1 (0.55) OPRK1DRD3DRD2NFKB1THPO
SCHEMBL4792233 0.72 DRD3 (0.44) MCHR1HTR2CKCNH2DRD3DRD2
SCHEMBL5663565 0.72 OPRK1 (0.62) OPRK1DRD3DRD2NFKB1THPO
SCHEMBL5663561 0.72 OPRK1 (0.62) OPRK1DRD3DRD2NFKB1THPO
SCHEMBL5935171 0.71 DRD3 (0.42) MCHR1HTR2CKCNH2DRD3DRD2
SCHEMBL4725409 0.71 MCHR1 (0.52) MCHR1HTR2CKCNH2DRD3DRD2
SCHEMBL4793677 0.71 MCHR1 (0.52) MCHR1HTR2CKCNH2DRD3DRD2

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 4 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 claimed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US claimed
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 OPRK1 90/4885ACHE 2533/4885MCHR1 1/4885

“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.