SCHEMBL4793451

SCHEMBL4793451

CNC1CCc2cc(CN(C)C)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.46
KCNH2 Q12809 8/20 0.46
HTR2C P28335 7/20 0.46
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
ACHE P22303 5/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL4779652 0.86 CA1 (0.41) MCHR1KCNH2HTR2CCA1CA2
SCHEMBL4792237 0.86 CA1 (0.40) MCHR1KCNH2HTR2CCA1CA2
SCHEMBL5935178 0.85 CA1 (0.39) MCHR1KCNH2HTR2CCA1CA2
SCHEMBL4795364 0.85 CA1 (0.41) MCHR1KCNH2HTR2CCA1CA2
SCHEMBL4778928 0.84 HRH3 (0.50) MCHR1KCNH2HTR2CCA1CA2
SCHEMBL4796188 0.83 DRD3 (0.45) CA1CA2ACHEHTR1DHTR1B
SCHEMBL20884062 0.83 HTR1D (0.48) CA1CA2ACHEHTR1DHTR1B
SCHEMBL4794873 0.83 CA1 (0.40) MCHR1KCNH2HTR2CCA1CA2
SCHEMBL4781077 0.82 CA1 (0.44) MCHR1KCNH2HTR2CCA1CA2
SCHEMBL4792617 0.82 HTR1D (0.43) CA1CA2ACHEHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US disclosed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP disclosed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO disclosed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 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-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 4050/4885HTR2C 61/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 4050/4885HTR2C 61/4885

“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.