SCHEMBL5879294

SCHEMBL5879294

CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc(NC(=O)OC)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.69
KCNH2 Q12809 12/20 0.69
OPRM1 P35372 12/20 0.69
OPRK1 P41145 1/20 0.47

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
SCHEMBL6109589 0.92 OPRD1 (0.69) OPRD1KCNH2OPRM1OPRK1
SCHEMBL1602393 0.85 OPRD1 (0.69) OPRD1KCNH2OPRM1
SCHEMBL5522056 0.85 OPRD1 (0.77) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5879164 0.84 OPRD1 (0.69) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5000061 0.83 OPRD1 (0.70) OPRD1KCNH2OPRM1OPRK1
SCHEMBL14417243 0.83 OPRD1 (0.75) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5530450 0.82 OPRD1 (0.73) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5530650 0.81 OPRD1 (0.73) OPRD1KCNH2OPRM1OPRK1
SCHEMBL14417241 0.81 OPRD1 (0.73) OPRD1KCNH2OPRM1OPRK1
SCHEMBL14424020 0.81 OPRD1 (0.89) OPRD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116399-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2006-06-01 US claimed
JP-2006515356-A 2006-05-25 JP claimed
EP-1587791-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2005-10-26 EP claimed
WO-2004063157-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-07-29 WO claimed
US-20060116399-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2006-06-01 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-20060116399-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof OPRM1, OPRD1, QDPR OPRD1 2/4885KCNH2 96/4885OPRM1 1/4885

“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.