SCHEMBL769111

SCHEMBL769111

COC(CCC(=O)N(C)CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)OC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRL1 P41146 1/20 0.41
CCR5 P51681 5/20 0.40
POLB P06746 1/20 0.40
OPRD1 P41143 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL768952 0.85 OPRM1 (0.44) OPRM1POLBOPRD1DRD2
SCHEMBL769137 0.84 OPRD1 (0.43) OPRM1POLBOPRD1DRD2
SCHEMBL768532 0.84 OPRM1 (0.43) OPRM1POLBOPRD1
SCHEMBL767766 0.84 OPRM1 (0.43) OPRM1POLBOPRD1
SCHEMBL768639 0.83 OPRD1 (0.44) OPRM1OPRD1
Hydrochloric Acid SCHEMBL768804 0.82 OPRD1 (0.43) OPRM1POLBOPRD1
SCHEMBL768618 0.82 OPRM1 (0.41) OPRM1POLBOPRD1DRD2
SCHEMBL768102 0.81 OPRM1 (0.41) OPRM1OPRD1
SCHEMBL768734 0.81 POLB (0.43) OPRM1POLBHTR1ADRD2HTR2A
SCHEMBL381421 0.79 CHRM3 (0.64)

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 15/4885OPRL1 65/4885CCR5 844/4885

“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.