SCHEMBL769116

SCHEMBL769116

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc2c(c1)CCNC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.34
OPRM1 P35372 4/20 0.33
SLC2A1 P11166 2/20 0.33
DRD2 P14416 2/20 0.33
ADRB2 P07550 3/20 0.32
CHRM3 P20309 3/20 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
DRD3 P35462 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
OPRD1 P41143 1/20 0.32
BACE1 P56817 1/20 0.32
POLB P06746 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
SCHEMBL381592 0.84 CHRM3 (0.51) SLC2A1CHRM3
SCHEMBL769117 0.84 MCHR1 (0.36) MCHR1SLC2A1DRD2ADRB2CHRM3
SCHEMBL768942 0.83 MCHR1 (0.37) MCHR1OPRM1SLC2A1DRD2ADRB2
SCHEMBL768843 0.82 HRH3 (0.34) OPRM1DRD2DRD3TMEM97
SCHEMBL768102 0.81 OPRM1 (0.41) MCHR1OPRM1SLC2A1CA12CA1
Hydrochloric Acid SCHEMBL768510 0.81 ACP1 (0.35) MCHR1OPRM1SLC2A1BACE1
SCHEMBL768438 0.80 MCHR1 (0.44) MCHR1OPRM1SLC2A1DRD2ADRB2
SCHEMBL768888 0.80 MCHR1 (0.44) MCHR1OPRM1SLC2A1DRD2ADRB2
SCHEMBL769263 0.80 MCHR1 (0.44) MCHR1OPRM1SLC2A1DRD2ADRB2
SCHEMBL768997 0.80 AVPR2 (0.35) MCHR1OPRM1SLC2A1

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 239/4885OPRM1 15/4885SLC2A1 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.