SCHEMBL5215770

SCHEMBL5215770

CCN(CC)C(=O)c1ccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc(OS(=O)(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.51
OPRM1 P35372 15/20 0.51
OPRK1 P41145 8/20 0.48
KCNH2 Q12809 2/20 0.46
ABCB11 O95342 1/20 0.46

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
SCHEMBL14565612 0.88 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5367295 0.86 OPRD1 (0.57) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5218154 0.84 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5954803 0.83 OPRD1 (0.64) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL14543729 0.83 OPRD1 (0.53) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4999880 0.79 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL5441915 0.79 GPR119 (0.55) OPRD1OPRM1OPRK1
SCHEMBL5489607 0.78 GPR119 (0.57) OPRD1OPRM1OPRK1
SCHEMBL14572964 0.77 OPRD1 (0.53) OPRD1OPRM1OPRK1KCNH2
SCHEMBL6764990 0.77 MEN1 (0.52) OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567496-B1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2007-04-11 EP 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
US-20060014789-A1 Phenyl-piperidin-4-ylidene-methyl-benzamide derivatives for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-01-19 US disclosed
EP-1567496-A1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2005-08-31 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
WO-2004041784-A1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2004-05-21 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 (3 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 1/4885OPRK1 4/4885
US-20060014789-A1 Phenyl-piperidin-4-ylidene-methyl-benzamide derivatives for the treatment of pain or gastrointestinal disorders TRPV1, TRPA1, OPRM1 OPRD1 9/4885OPRM1 3/4885OPRK1 5/4885
US-20060287361-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof as opoid receptors ligands OPRM1, OPRL1, OPRD1 OPRD1 3/4885OPRM1 1/4885OPRK1 4/4885

“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.