SCHEMBL768948

SCHEMBL768948

CNCCCN(C)C(=O)c1ccc(N2CCC(CCC(=O)N(C)CCN3CCC(N(C(=O)O)c4ccccc4-c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
ACHE P22303 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 2/20 0.36

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
SCHEMBL768196 0.89 MCHR1 (0.41) MCHR1ACHECHRM2
SCHEMBL769141 0.86 MCHR1 (0.44) MCHR1ACHECHRM2CHRM4
SCHEMBL769263 0.84 MCHR1 (0.44) MCHR1ACHECHRM2CHRM4
SCHEMBL768707 0.84 MCHR1 (0.44) MCHR1CHRM2
SCHEMBL15061368 0.84 CHRM2 (0.58) CHRM2
SCHEMBL768949 0.84 CHRM2 (0.38) MCHR1ACHECHRM2
SCHEMBL768888 0.83 MCHR1 (0.44) MCHR1ACHECHRM2
SCHEMBL767544 0.83 CHRM2 (0.41) MCHR1ACHECHRM2CHRM4
SCHEMBL768102 0.82 OPRM1 (0.41) MCHR1
SCHEMBL768357 0.80 MCHR1 (0.39) MCHR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 MCHR1 239/4885ACHE 687/4885CHRM2 2/4885

“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.