SCHEMBL5457725

SCHEMBL5457725

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC3CCCCC3)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.73
OPRM1 P35372 18/20 0.73
ABCB11 O95342 1/20 0.64
KCNH2 Q12809 1/20 0.64
OPRK1 P41145 7/20 0.63

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
SCHEMBL5462097 0.99 OPRD1 (0.74) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL4927224 0.85 OPRD1 (1.00) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL5463355 0.83 OPRD1 (0.80) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL5757468 0.82 OPRD1 (0.69) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL5432256 0.82 OPRD1 (0.73) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL5212356 0.81 OPRD1 (0.65) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL5212842 0.81 OPRD1 (0.65) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL5216411 0.81 OPRD1 (0.65) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL5435685 0.80 OPRD1 (0.74) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL4922367 0.80 OPRD1 (1.00) OPRD1OPRM1ABCB11KCNH2OPRK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-22 US claimed
US-20060287361-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof as opoid receptors ligands ASTRAZENECA AB (SE) 2006-12-21 US claimed
EP-1638564-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AS OPIOID RECEPTORS LIGANDS AstraZeneca AB (SE) 2006-03-29 EP claimed
EP-1628960-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-01 EP claimed
WO-2004101521-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-11-25 WO claimed
WO-2004100952-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AS OPIOID RECEPTORS LIGANDS ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-22 US disclosed
US-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-22 US disclosed
US-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-22 US disclosed
US-20060287361-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof as opoid receptors ligands ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1638564-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AS OPIOID RECEPTORS LIGANDS AstraZeneca AB (SE) 2006-03-29 EP disclosed
EP-1628960-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-01 EP disclosed
WO-2004101521-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-11-25 WO disclosed
WO-2004100952-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AS OPIOID RECEPTORS LIGANDS ASTRAZENECA AB (SE) 2004-11-25 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 (2 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-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof OPRM1, OPRL1, OPRD1 OPRD1 3/4885OPRM1 1/4885ABCB11 666/4885
US-20060287361-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof as opoid receptors ligands OPRM1, OPRL1, OPRD1 OPRD1 3/4885OPRM1 1/4885ABCB11 2717/4885

“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.