SCHEMBL5791827

SCHEMBL5791827

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(=O)NCC(C)C)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.70
OPRM1 P35372 16/20 0.70
KCNH2 Q12809 2/20 0.66
ABCB11 O95342 1/20 0.66
OPRK1 P41145 6/20 0.65
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL5760596 0.85 OPRD1 (0.71) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5789652 0.85 OPRD1 (0.72) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5789722 0.84 OPRD1 (0.69) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5373699 0.83 OPRD1 (0.83) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL4929150 0.83 OPRD1 (1.00) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5760146 0.83 OPRD1 (0.73) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5758234 0.82 OPRD1 (0.66) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL6078488 0.82 OPRD1 (0.64) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5793217 0.82 OPRD1 (0.64) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5365299 0.82 OPRD1 (0.81) OPRD1OPRM1KCNH2ABCB11OPRK1

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-20060079555-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2006-04-13 US claimed
EP-1613593-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP claimed
WO-2004087663-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-10-14 WO claimed
US-20060079555-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2006-04-13 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-20060079555-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof OPRM1, OPRD1, OPRL1 OPRD1 2/4885OPRM1 1/4885KCNH2 56/4885

“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.