SCHEMBL1999508

SCHEMBL1999508

CCN(CC)C(=O)c1ccc(C(c2cccc(NC(=O)O)c2)N2CCN(Cc3cccs3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.67
KCNH2 Q12809 7/20 0.67
OPRK1 P41145 2/20 0.55
OPRM1 P35372 3/20 0.53

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
SCHEMBL12569790 0.92 OPRD1 (0.79) OPRD1KCNH2OPRK1OPRM1
SCHEMBL12569786 0.92 OPRD1 (0.79) OPRD1KCNH2OPRK1OPRM1
SCHEMBL6268005 0.88 OPRD1 (0.85) OPRD1KCNH2OPRK1OPRM1
SCHEMBL6236576 0.87 OPRD1 (0.58) OPRD1KCNH2OPRK1OPRM1
SCHEMBL2002716 0.87 OPRD1 (0.71) OPRD1KCNH2OPRK1OPRM1
SCHEMBL5522677 0.87 OPRD1 (0.65) OPRD1KCNH2OPRK1OPRM1
SCHEMBL5522686 0.87 OPRD1 (0.65) OPRD1KCNH2OPRK1OPRM1
SCHEMBL1998734 0.86 OPRD1 (0.65) OPRD1KCNH2OPRK1OPRM1
SCHEMBL1998738 0.86 OPRD1 (0.65) OPRD1KCNH2OPRK1OPRM1
SCHEMBL1999813 0.86 OPRD1 (0.64) OPRD1KCNH2OPRK1OPRM1

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 6 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 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
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 disclosed
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 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 5/4885KCNH2 217/4885OPRK1 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 6/4885KCNH2 189/4885OPRK1 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.