SCHEMBL1999217

SCHEMBL1999217

CCN(CC)C(=O)c1ccc(C(c2cccc(NC(=O)OC)c2)N2CCN(Cc3ccccn3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.80
KCNH2 Q12809 10/20 0.80
OPRM1 P35372 1/20 0.51

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
SCHEMBL12569814 1.00 OPRD1 (0.80) OPRD1KCNH2OPRM1
SCHEMBL12569816 1.00 OPRD1 (0.80) OPRD1KCNH2OPRM1
SCHEMBL6248563 0.92 OPRD1 (0.83) OPRD1KCNH2OPRM1
SCHEMBL1999288 0.88 OPRD1 (0.82) OPRD1KCNH2OPRM1
SCHEMBL12569783 0.88 OPRD1 (0.82) OPRD1KCNH2OPRM1
SCHEMBL1996627 0.88 OPRD1 (0.82) OPRD1KCNH2OPRM1
SCHEMBL2004387 0.88 OPRD1 (0.89) OPRD1KCNH2
SCHEMBL1997312 0.88 OPRD1 (0.89) OPRD1KCNH2
SCHEMBL14424020 0.88 OPRD1 (0.89) OPRD1KCNH2
SCHEMBL1997310 0.88 OPRD1 (0.89) OPRD1KCNH2

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-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
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

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 217/4885OPRM1 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 6/4885KCNH2 189/4885OPRM1 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.