SCHEMBL4781077

SCHEMBL4781077

CNC1CCc2cc(CN(C)CC(N)=O)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
ACHE P22303 6/20 0.44
MCHR1 Q99705 7/20 0.44
KCNH2 Q12809 5/20 0.44
HTR2C P28335 4/20 0.41
DRD3 P35462 3/20 0.40
DRD2 P14416 2/20 0.40
AOC3 Q16853 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4781074 0.83 MCHR1 (0.45) MCHR1KCNH2HTR2CDRD3DRD2
SCHEMBL4793451 0.82 MCHR1 (0.46) CA1CA2ACHEMCHR1KCNH2
SCHEMBL4795364 0.81 CA1 (0.41) CA1CA2ACHEMCHR1KCNH2
SCHEMBL4794873 0.80 CA1 (0.40) CA1CA2ACHEMCHR1KCNH2
SCHEMBL5935178 0.79 CA1 (0.39) CA1CA2ACHEMCHR1KCNH2
SCHEMBL4779652 0.78 CA1 (0.41) CA1CA2ACHEMCHR1KCNH2
SCHEMBL4792237 0.77 CA1 (0.40) CA1CA2ACHEMCHR1KCNH2
SCHEMBL4794027 0.76 HTR1D (0.43) CA1CA2ACHEDRD3DRD2
SCHEMBL4778928 0.76 HRH3 (0.50) CA1CA2ACHEMCHR1KCNH2
SCHEMBL4796188 0.75 DRD3 (0.45) CA1CA2ACHEDRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 3371/4885CA2 1850/4885ACHE 2533/4885

“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.