SCHEMBL5215388

SCHEMBL5215388

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(NCc3ccccc3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.71
OPRM1 P35372 16/20 0.71
OPRK1 P41145 6/20 0.71
KCNH2 Q12809 2/20 0.65
ABCB11 O95342 1/20 0.65

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
SCHEMBL5213707 0.92 OPRD1 (0.69) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5214067 0.90 OPRD1 (0.68) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5212634 0.89 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5213631 0.89 OPRD1 (0.66) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5213291 0.88 OPRD1 (0.76) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5211611 0.88 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5211653 0.88 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5217382 0.88 OPRD1 (0.77) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5215976 0.87 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5213708 0.87 OPRD1 (0.63) OPRD1OPRM1OPRK1KCNH2ABCB11

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 7 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 claimed
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 claimed
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
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-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-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 (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-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

“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.