SCHEMBL768421

SCHEMBL768421

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.35
BACE1 P56817 1/20 0.35
SLC2A1 P11166 2/20 0.34
OPRD1 P41143 2/20 0.34
CCR5 P51681 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
CA14 Q9ULX7 2/20 0.34
SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL768562 0.89 MCHR1 (0.41) BACE1SLC2A1CCR5SIRT5
SCHEMBL769174 0.89 MCHR1 (0.41) OPRM1BACE1CCR5SIRT5
SCHEMBL768695 0.88 DRD2 (0.39) OPRD1SIRT5
SCHEMBL768428 0.87 MCHR1 (0.36) BACE1CCR5SIRT5
SCHEMBL768396 0.86 MCHR1 (0.36) OPRM1BACE1SLC2A1CCR5SIRT5
SCHEMBL768307 0.86 MCHR1 (0.42) OPRM1BACE1CCR5
SCHEMBL768715 0.86 MCHR1 (0.35) BACE1CCR5SIRT5
SCHEMBL768336 0.85 CHRM2 (0.44) SLC2A1SIRT5
SCHEMBL381196 0.84 CHRM3 (0.52) SLC2A1
SCHEMBL768850 0.84 CHRM2 (0.41) BACE1OPRD1CCR5

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 15/4885BACE1 3928/4885SLC2A1 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.