SCHEMBL14001237

SCHEMBL14001237

CC1CN(Cc2ccccc2)CCC1(C)C#N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRK1 P41145 1/20 0.48
SIGMAR1 Q99720 5/20 0.46
ACHE P22303 1/20 0.45
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRL1 P41146 2/20 0.42
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL16926353 0.85 OPRM1 (0.51) OPRM1OPRK1SIGMAR1CYP3A4HSD17B10
SCHEMBL16915737 0.85 OPRM1 (0.51) OPRM1OPRK1SIGMAR1CYP3A4HSD17B10
SCHEMBL29710109 0.85 OPRM1 (0.51) OPRM1OPRK1SIGMAR1CYP3A4HSD17B10
SCHEMBL16915579 0.85 OPRM1 (0.51) OPRM1OPRK1SIGMAR1CYP3A4HSD17B10
SCHEMBL20473610 0.85 OPRM1 (0.51) OPRM1OPRK1SIGMAR1CYP3A4HSD17B10
SCHEMBL16926718 0.85 OPRM1 (0.51) OPRM1OPRK1SIGMAR1CYP3A4HSD17B10
SCHEMBL12265181 0.81 OPRM1 (0.57) OPRM1OPRK1SIGMAR1ACHECYP3A4
SCHEMBL29312728 0.81 OPRM1 (0.53) OPRM1OPRK1SIGMAR1ACHECYP3A4
SCHEMBL11401193 0.77 OPRM1 (0.69) OPRM1OPRK1
SCHEMBL22528005 0.77 ACHE (0.50) OPRM1OPRK1SIGMAR1ACHECYP3A4

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-20080319020-A1 4-Oxadiazolyl-Piperidine Compounds and Use Thereof PURDUE PHARMA L.P. 2008-12-25 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-20080319020-A1 4-Oxadiazolyl-Piperidine Compounds and Use Thereof VIP, ALPI, OPRD1 OPRM1 7/4885OPRK1 4/4885SIGMAR1 82/4885

“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.