SCHEMBL84143

SCHEMBL84143

CCN(CC)C(=O)c1ccc(C(c2cccc(N)c2)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.66
OPRM1 P35372 5/20 0.63
OPRK1 P41145 3/20 0.62
KCNH2 Q12809 2/20 0.60

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
SCHEMBL12569760 1.00 OPRD1 (0.66) OPRD1OPRM1OPRK1KCNH2
SCHEMBL73453 0.92 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL71181 0.92 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL71180 0.92 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL29457724 0.92 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL72775 0.91 OPRD1 (0.64) OPRD1OPRM1OPRK1KCNH2
SCHEMBL72787 0.91 OPRD1 (0.64) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4825427 0.90 OPRD1 (0.65) OPRD1OPRM1OPRK1KCNH2
SCHEMBL15764535 0.89 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
SCHEMBL231375 0.89 OPRD1 (0.67) 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915413-B2 Compounds ASTRAZENECA AB (SE) 2011-03-29 US claimed
US-20110039858-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-02-17 US claimed
EP-1395567-B1 4 (PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2009-01-14 EP claimed
US-20070270435-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-22 US claimed
US-7229994-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-06-12 US claimed
US-20040147526-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-29 US claimed
EP-1395567-A1 4 (PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP claimed
WO-2002094794-A1 4 (PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO claimed
US-20120149717-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof BROWN WILLIAM (CA) 2012-06-14 US disclosed
US-20120149717-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof BROWN WILLIAM (CA) 2012-06-14 US disclosed
US-8129393-B2 Diarylmethyl piperazine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129393-B2 Diarylmethyl piperazine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8022074-B2 4-(phenyl-piperazinyl-methyl)benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-8022074-B2 4-(phenyl-piperazinyl-methyl)benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-7229994-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-06-12 US disclosed
US-7229994-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-06-12 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
US-20040147526-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-29 US 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 (5 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-20120149717-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof OPRM1, OPRL1, PNMT OPRD1 8/4885OPRM1 1/4885OPRK1 7/4885
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-20070270435-A1 Novel Compounds FFAR3, CNR1, INSR OPRD1 15/4885OPRM1 181/4885OPRK1 146/4885
US-20040147526-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders HTR2C, OPRM1, HTR3C OPRD1 7/4885OPRM1 2/4885OPRK1 8/4885
US-20110039858-A1 Novel Compounds FFAR3, CNR1, INSR OPRD1 14/4885OPRM1 181/4885OPRK1 145/4885

“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.