SCHEMBL2005196

SCHEMBL2005196

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.64
OPRK1 P41145 3/20 0.64
OPRM1 P35372 7/20 0.60
MGLL Q99685 1/20 0.58

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
SCHEMBL12569745 0.89 OPRD1 (0.77) OPRD1OPRK1OPRM1
SCHEMBL2001758 0.88 OPRD1 (0.64) OPRD1OPRK1OPRM1MGLL
SCHEMBL12626664 0.86 OPRD1 (0.55) OPRD1OPRK1OPRM1MGLL
SCHEMBL6267820 0.85 OPRD1 (0.64) OPRD1OPRK1OPRM1MGLL
SCHEMBL6267823 0.85 OPRD1 (0.64) OPRD1OPRK1OPRM1MGLL
SCHEMBL2005687 0.82 OPRD1 (0.69) OPRD1OPRK1OPRM1
SCHEMBL8393489 0.81 OPRD1 (0.78) OPRD1OPRK1OPRM1MGLL
Hydrochloric Acid SCHEMBL6792603 0.80 OPRD1 (0.76) OPRD1OPRK1OPRM1MGLL
SCHEMBL6791709 0.77 OPRD1 (1.00) OPRD1OPRK1OPRM1MGLL
SCHEMBL12569777 0.77 OPRD1 (0.77) OPRD1OPRK1OPRM1

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 5/4885OPRK1 1/4885OPRM1 3/4885
US-20070254890-A1 4(Phenyl-Piperazinyl-Methyl) Benzamide Derivatives and Their Use for the Treatment of Pain or Gastrointestinal Disorders TRPV1, OPRM1, OPRK1 OPRD1 6/4885OPRK1 3/4885OPRM1 2/4885

“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.