SCHEMBL768362

SCHEMBL768362

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
CHRM2 P08172 1/20 0.34
OPRM1 P35372 4/20 0.33
SLC2A1 P11166 2/20 0.32
BCHE P06276 4/20 0.32
ACHE P22303 4/20 0.32
HTR7 P34969 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA14 Q9ULX7 2/20 0.32
DRD2 P14416 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL768102 0.87 OPRM1 (0.41) MCHR1OPRM1SLC2A1CA12CA1
SCHEMBL769263 0.86 MCHR1 (0.44) MCHR1CHRM2OPRM1SLC2A1ACHE
SCHEMBL768888 0.85 MCHR1 (0.44) MCHR1CHRM2OPRM1SLC2A1ACHE
SCHEMBL768363 0.84 HRH3 (0.33) MCHR1CHRM2SLC2A1BCHEACHE
SCHEMBL380311 0.84 CHRM2 (0.51) CHRM2SLC2A1
SCHEMBL769369 0.83 MCHR1 (0.35) MCHR1CHRM2OPRM1SLC2A1CA12
SCHEMBL768997 0.83 AVPR2 (0.35) MCHR1CHRM2OPRM1SLC2A1
SCHEMBL768357 0.83 MCHR1 (0.39) MCHR1CHRM2OPRM1SLC2A1DRD2
SCHEMBL768707 0.82 MCHR1 (0.44) MCHR1CHRM2OPRM1SLC2A1DRD2
SCHEMBL768446 0.82 MCHR1 (0.38) MCHR1CHRM2OPRM1SLC2A1DRD2

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 2/4885OPRM1 15/4885

“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.