SCHEMBL2006440

SCHEMBL2006440

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.75
OPRM1 P35372 12/20 0.75
OPRK1 P41145 6/20 0.70
KCNH2 Q12809 1/20 0.56

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
SCHEMBL5975554 1.00 OPRD1 (0.75) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5175825 0.92 OPRD1 (0.76) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5173818 0.92 OPRD1 (0.76) OPRD1OPRM1OPRK1KCNH2
SCHEMBL14343287 0.92 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5172446 0.92 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL5173044 0.92 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL5175014 0.92 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL5618411 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5618406 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5174644 0.91 OPRD1 (0.73) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 claimed
EP-1706393-A1 DIARYLMETHYL PIPERAZINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-10-04 EP claimed
US-20060122193-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-08 US claimed
EP-1562924-A1 4(PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2005-08-17 EP claimed
WO-2005066148-A1 DIARYLMETHYL PIPERAZINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-07-21 WO claimed
WO-2004041802-A1 4(PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2004-05-21 WO 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-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-20060122193-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-08 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-20060122193-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders OPRK1, TRPV1, OPRM1 OPRD1 5/4885OPRM1 3/4885OPRK1 1/4885
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 2/4885OPRK1 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.