SCHEMBL768952

SCHEMBL768952

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.44
OPRD1 P41143 4/20 0.41
MCHR1 Q99705 1/20 0.41
OPRK1 P41145 3/20 0.41
POLB P06746 1/20 0.40
SLC22A1 O15245 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB1 P08183 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
DRD4 P21917 1/20 0.40
MAOB P27338 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL768532 0.99 OPRM1 (0.43) OPRM1OPRD1MCHR1OPRK1POLB
SCHEMBL767766 0.99 OPRM1 (0.43) OPRM1OPRD1MCHR1OPRK1POLB
SCHEMBL768639 0.92 OPRD1 (0.44) OPRM1OPRD1CHRM3CA12CA1
SCHEMBL768618 0.91 OPRM1 (0.41) OPRM1OPRD1MCHR1OPRK1POLB
Hydrochloric Acid SCHEMBL768804 0.91 OPRD1 (0.43) OPRM1OPRD1OPRK1POLBCHRM3
SCHEMBL768102 0.90 OPRM1 (0.41) OPRM1OPRD1MCHR1CA12CA1
SCHEMBL768734 0.88 POLB (0.43) OPRM1POLBDRD2
SCHEMBL769137 0.87 OPRD1 (0.43) OPRM1OPRD1OPRK1POLBSLC22A1
SCHEMBL768742 0.86 CA12 (0.40) OPRM1OPRD1MCHR1DRD2DRD3
SCHEMBL768438 0.86 MCHR1 (0.44) OPRM1MCHR1DRD2CHRM3

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 15/4885OPRD1 56/4885MCHR1 239/4885

“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.