SCHEMBL4929433

SCHEMBL4929433

CCN(CC)C(=O)c1ccc(C(c2ccc(NC(C)=O)cc2)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.63
OPRM1 P35372 6/20 0.61
OPRK1 P41145 2/20 0.61
KCNH2 Q12809 3/20 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
SCHEMBL5273810 0.93 OPRD1 (0.64) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4934238 0.90 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2
SCHEMBL14046293 0.90 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4927917 0.87 MEN1 (0.57) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4936331 0.86 OPRD1 (0.68) OPRD1OPRM1OPRK1
SCHEMBL2002716 0.85 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4937242 0.85 OPRD1 (0.58) OPRD1OPRM1OPRK1KCNH2
SCHEMBL12359992 0.84 OPRD1 (0.82) OPRD1OPRM1KCNH2
SCHEMBL14108184 0.83 OPRD1 (0.66) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4927918 0.83 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262229-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-10-23 US claimed
EP-1856076-A1 DIARYLMETHYL PIPERAZINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2007-11-21 EP claimed
WO-2006091160-A1 DIARYLMETHYL PIPERAZINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2006-08-31 WO claimed
US-20080262229-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080262229-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-10-23 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 (1 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-20080262229-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof OPRM1, OPRL1, PTGER2 OPRD1 15/4885OPRM1 1/4885OPRK1 14/4885

“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.