SCHEMBL5534798

SCHEMBL5534798

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.74
KCNH2 Q12809 7/20 0.71
OPRM1 P35372 2/20 0.61
OPRK1 P41145 1/20 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
SCHEMBL5534794 1.00 OPRD1 (0.74) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5528568 0.95 OPRD1 (0.81) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5520415 0.95 OPRD1 (0.81) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5520418 0.95 OPRD1 (0.81) OPRD1KCNH2OPRM1OPRK1
SCHEMBL14343178 0.93 OPRD1 (0.74) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5975336 0.93 OPRD1 (0.74) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5528559 0.93 OPRD1 (0.71) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5528556 0.93 OPRD1 (0.71) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5531105 0.93 OPRD1 (0.71) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5518882 0.92 OPRD1 (0.69) OPRD1KCNH2OPRM1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293502-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2007-12-20 US claimed
US-20070293502-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2007-12-20 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-20070293502-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof OPRL1, OPRM1, PTGER3 OPRD1 10/4885KCNH2 83/4885OPRM1 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.