SCHEMBL5230738

SCHEMBL5230738

CCN(CC)C(=O)c1ccc(C(c2cccc(NC(=O)OC)c2)N2CCNCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.73
OPRM1 P35372 12/20 0.73
KCNH2 Q12809 5/20 0.67
OPRK1 P41145 5/20 0.64

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
SCHEMBL5522678 1.00 OPRD1 (0.73) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5525204 1.00 OPRD1 (0.73) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5531290 0.93 OPRD1 (0.68) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5531296 0.93 OPRD1 (0.68) OPRD1OPRM1KCNH2OPRK1
SCHEMBL14343287 0.90 OPRD1 (0.72) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5975554 0.90 OPRD1 (0.75) OPRD1OPRM1KCNH2OPRK1
SCHEMBL2006440 0.90 OPRD1 (0.75) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5530895 0.90 OPRD1 (0.65) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5530890 0.90 OPRD1 (0.65) OPRD1OPRM1KCNH2OPRK1
SCHEMBL14046301 0.90 OPRD1 (0.73) OPRD1OPRM1KCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254890-A1 4(Phenyl-Piperazinyl-Methyl) Benzamide Derivatives and Their Use for the Treatment of Pain or Gastrointestinal Disorders ASTRAZENECA AB (SE) 2007-11-01 US claimed
US-7960389-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960389-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20070293502-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070254890-A1 4(Phenyl-Piperazinyl-Methyl) Benzamide Derivatives and Their Use for the Treatment of Pain or Gastrointestinal Disorders ASTRAZENECA AB (SE) 2007-11-01 US disclosed
US-20070254890-A1 4(Phenyl-Piperazinyl-Methyl) Benzamide Derivatives and Their Use for the Treatment of Pain or Gastrointestinal Disorders ASTRAZENECA AB (SE) 2007-11-01 US disclosed
US-7253173-B2 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain of gastrointestinal disorders ASTRAZENECA AB (SE) 2007-08-07 US disclosed
US-7253173-B2 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain of gastrointestinal disorders ASTRAZENECA AB (SE) 2007-08-07 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 (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-20070293502-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof OPRL1, OPRM1, PTGER3 OPRD1 10/4885OPRM1 2/4885KCNH2 83/4885
US-20070254890-A1 4(Phenyl-Piperazinyl-Methyl) Benzamide Derivatives and Their Use for the Treatment of Pain or Gastrointestinal Disorders TRPV1, OPRM1, OPRK1 OPRD1 6/4885OPRM1 2/4885KCNH2 189/4885

“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.