SCHEMBL13242811

SCHEMBL13242811

CC1CCC(CCO)N1C1CC2CCCC(C2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14327665 0.79 OPRM1 (0.31) OPRM1OPRK1
SCHEMBL880389 0.78 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL10285474 0.77 ALDH1A1 (0.31)
SCHEMBL13243090 0.77 ALDH1A1 (0.38)
SCHEMBL16731191 0.76
SCHEMBL880511 0.75 ALDH1A1 (0.30)
SCHEMBL10285470 0.74 ACHE (0.33) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL880527 0.74 ACHE (0.33) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL12345491 0.70
SCHEMBL12652960 0.69 PHGDH (0.32)

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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 OPRM1 25/4885OPRD1 29/4885OPRK1 6/4885

“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.