SCHEMBL768459

SCHEMBL768459

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.35
MCHR1 Q99705 1/20 0.34
SLC2A1 P11166 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRB2 P07550 2/20 0.32
CHRM3 P20309 2/20 0.32
OPRD1 P41143 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL768738 0.89 OPRM1 (0.34) OPRM1MCHR1SLC2A1CHRM2OPRD1
SCHEMBL768460 0.85 HTR7 (0.35) SLC2A1CHRM2ADRB2CHRM3
SCHEMBL381260 0.84 CHRM2 (0.50) SLC2A1CHRM2CHRM3
SCHEMBL768102 0.83 OPRM1 (0.41) OPRM1MCHR1SLC2A1OPRD1CA12
SCHEMBL768707 0.81 MCHR1 (0.44) OPRM1MCHR1SLC2A1CHRM2ADRB2
SCHEMBL769446 0.80 OPRM1 (0.33) OPRM1MCHR1SLC2A1CHRM2
SCHEMBL768888 0.79 MCHR1 (0.44) OPRM1MCHR1SLC2A1CHRM2ADRB2
SCHEMBL767766 0.79 OPRM1 (0.43) OPRM1MCHR1OPRD1CA12CA1
SCHEMBL768532 0.79 OPRM1 (0.43) OPRM1MCHR1OPRD1CA12CA1
SCHEMBL768952 0.78 OPRM1 (0.44) OPRM1MCHR1CHRM3OPRD1CA12

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 239/4885SLC2A1 1942/4885

“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.