SCHEMBL3576994

SCHEMBL3576994

C[C@@H]1CN(C(c2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)c2cccc(O)c2)[C@H](C)CN1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL13441355 1.00 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL3576989 1.00 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL13441335 0.94
SCHEMBL3578381 0.94
SCHEMBL3578382 0.94
SCHEMBL13441354 0.93 OPRD1 (0.48) OPRD1
SCHEMBL3579068 0.93 OPRD1 (0.48) OPRD1
SCHEMBL3579067 0.93 OPRD1 (0.48) OPRD1
SCHEMBL13441339 0.88 OPRD1 (0.49) OPRD1
SCHEMBL3576184 0.88 OPRD1 (0.49) OPRD1

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 4 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
EP-1874315-A2 COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF Mount Cook Biosciences, Inc. (US) 2008-01-09 EP disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
WO-2006113468-A2 COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF MOUNT COOK BIOSCIENCES, INC. (US) 2006-10-26 WO 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 CYP1A2 1819/4885CYP3A4 2559/4885CYP2C9 2105/4885

“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.