SCHEMBL12359999

SCHEMBL12359999

C=C(c1ccc([C@@H](c2cccc([N+](=O)[O-])c2)N2CCNCC2)cc1)N(CC)CC

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.57
OPRM1 P35372 13/20 0.57
OPRK1 P41145 4/20 0.52

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
SCHEMBL12360000 1.00 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL72676 0.89 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL72381 0.89 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL72380 0.89 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL12359996 0.83 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL12375391 0.82 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL12375392 0.82 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL1142697 0.81 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL14528036 0.78 MEN1 (0.44) OPRD1OPRM1
SCHEMBL12569769 0.78 OPRD1 (0.60) OPRD1OPRM1OPRK1

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-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-08-25 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-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH VHL, TPMT, NNMT OPRD1 4300/4885OPRM1 3133/4885OPRK1 3060/4885

“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.