SCHEMBL3569191

SCHEMBL3569191

C=CCN1C[C@H](C)N([C@@H](c2cccc(O[Si](C)(C)C(C)(C)C)c2)c2cccc(C(=O)OC)c2)C[C@H]1C

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.69
OPRM1 P35372 5/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
LMNA P02545 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
OPRK1 P41145 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL3569193 1.00 OPRD1 (0.69) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL6652454 0.94 OPRD1 (0.79) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL8069316 0.93 OPRD1 (0.60) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL8930432 0.92 OPRD1 (0.60) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL8069178 0.92 OPRD1 (0.60) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL2751381 0.89 OPRD1 (0.68) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL2750830 0.89 OPRD1 (0.68) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL4576058 0.89 OPRD1 (0.77) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL9541531 0.89 OPRD1 (0.77) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL6935746 0.89 OPRD1 (0.77) OPRD1OPRM1MEN1KMT2ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 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-20070043028-A1 Compositions of novel opioid compounds and method of use thereof OPRL1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 4/4885MEN1 4781/4885

“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.