SCHEMBL768707

SCHEMBL768707

CNCCCN(C)C(=O)c1ccc(N(C)CCCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
CHRM2 P08172 1/20 0.41
HDAC6 Q9UBN7 7/20 0.38
OPRM1 P35372 4/20 0.36
ADRB2 P07550 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD2 P14416 1/20 0.35
SLC2A1 P11166 2/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL768888 0.90 MCHR1 (0.44) MCHR1CHRM2HDAC6OPRM1ADRB2
SCHEMBL769263 0.90 MCHR1 (0.44) MCHR1CHRM2HDAC6OPRM1ADRB2
SCHEMBL768102 0.88 OPRM1 (0.41) MCHR1OPRM1SLC2A1OPRD1
SCHEMBL769141 0.88 MCHR1 (0.44) MCHR1CHRM2OPRM1ADRB2CHRM3
SCHEMBL768753 0.87 MCHR1 (0.42) MCHR1CHRM2OPRM1ADRB2CHRM3
SCHEMBL768438 0.86 MCHR1 (0.44) MCHR1CHRM2HDAC6OPRM1ADRB2
SCHEMBL768357 0.85 MCHR1 (0.39) MCHR1CHRM2HDAC6OPRM1ADRB2
SCHEMBL768948 0.84 MCHR1 (0.43) MCHR1CHRM2
SCHEMBL768446 0.84 MCHR1 (0.38) MCHR1CHRM2OPRM1CHRM3DRD2
SCHEMBL767544 0.84 CHRM2 (0.41) MCHR1CHRM2ADRB2CHRM3DRD2

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 239/4885CHRM2 2/4885HDAC6 407/4885

“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.