SCHEMBL768738

SCHEMBL768738

CNCCN(C)C(=O)c1sc(NCCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.34
MCHR1 Q99705 1/20 0.34
CHRM2 P08172 1/20 0.33
SLC2A1 P11166 2/20 0.32
DRD2 P14416 2/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA13 Q8N1Q1 2/20 0.31
CA14 Q9ULX7 2/20 0.31
OPRD1 P41143 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
SCHEMBL769446 0.90 OPRM1 (0.33) OPRM1MCHR1CHRM2SLC2A1DRD2
SCHEMBL768459 0.89 OPRM1 (0.35) OPRM1MCHR1CHRM2SLC2A1CA12
SCHEMBL768739 0.85 HRH3 (0.33) OPRM1CHRM2SLC2A1DRD2
SCHEMBL768102 0.85 OPRM1 (0.41) OPRM1MCHR1SLC2A1CA12CA1
SCHEMBL381233 0.84 CHRM2 (0.50) CHRM2SLC2A1
SCHEMBL769263 0.81 MCHR1 (0.44) OPRM1MCHR1CHRM2SLC2A1DRD2
SCHEMBL768888 0.81 MCHR1 (0.44) OPRM1MCHR1CHRM2SLC2A1DRD2
SCHEMBL768997 0.80 AVPR2 (0.35) OPRM1MCHR1CHRM2SLC2A1UBE2M
SCHEMBL769369 0.80 MCHR1 (0.35) OPRM1MCHR1CHRM2SLC2A1DRD2
SCHEMBL768446 0.80 MCHR1 (0.38) OPRM1MCHR1CHRM2SLC2A1DRD2

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 OPRM1 15/4885MCHR1 239/4885CHRM2 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.