SCHEMBL4827779

SCHEMBL4827779

CCN(CC)C(=O)c1ccc(C(c2cccc(C#N)c2)N2CCN(Cc3ccco3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.53
OPRM1 P35372 6/20 0.52
OPRK1 P41145 2/20 0.51
KCNH2 Q12809 2/20 0.49

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
SCHEMBL6237261 0.88 OPRD1 (0.56) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4822831 0.86 OPRD1 (0.55) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4827770 0.86 OPRD1 (0.63) OPRD1OPRM1OPRK1KCNH2
SCHEMBL1996254 0.84 OPRD1 (0.60) OPRD1OPRM1OPRK1KCNH2
SCHEMBL12569804 0.83 OPRD1 (0.72) OPRD1OPRM1KCNH2
SCHEMBL12569805 0.83 OPRD1 (0.72) OPRD1OPRM1KCNH2
SCHEMBL2001487 0.83 OPRD1 (0.72) OPRD1OPRM1KCNH2
SCHEMBL4829690 0.82 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL6245607 0.81 OPRD1 (0.55) OPRD1OPRM1OPRK1KCNH2
SCHEMBL6773667 0.77 OPRD1 (0.69) OPRD1OPRM1OPRK1KCNH2

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-7396834-B2 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-7396834-B2 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-7396834-B2 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-20060167004-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-07-27 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-20060167004-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders TRPV1, OPRM1, OPRK1 OPRD1 8/4885OPRM1 2/4885OPRK1 3/4885

“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.