SCHEMBL15469034

SCHEMBL15469034

C=C1CN(c2nc3ccccc3n([C@H]3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CCN1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.84
OPRM1 P35372 19/20 0.84
OPRK1 P41145 19/20 0.84
OPRD1 P41143 15/20 0.66
OPRL1 P41146 2/20 0.57

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
SCHEMBL854091 0.91 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854092 0.91 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21547950 0.87 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL17561629 0.83 OGFRL1 (0.72) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21548084 0.79 OGFRL1 (0.73) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21547966 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL22114404 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852919 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852149 0.79 OGFRL1 (0.73) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852918 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1

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-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 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-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 OGFRL1 2320/4885OPRM1 5/4885OPRK1 16/4885

“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.