SCHEMBL6780476

SCHEMBL6780476

CCN(CC)C(=O)c1ccc(C(CCN2CCC(C(C)=O)(c3ccccc3)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
OPRD1 P41143 3/20 0.51
OPRM1 P35372 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL6778256 0.80 OPRM1 (0.54) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6777694 0.78 OPRD1 (0.48) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6774246 0.77 OPRD1 (0.59) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6778865 0.76 TACR2 (0.55) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6774420 0.76 CCR5 (0.47) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6778806 0.76 OPRD1 (0.58) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6774082 0.76 TACR2 (0.56) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6778431 0.76 HTR2A (0.53) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6779960 0.76 CYP3A4 (0.51) OPRD1OPRM1CYP3A4
SCHEMBL6780052 0.75 CCR5 (0.62) OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790854-B2 TREATMENT OF DEPRESSION, EPILEPSY AND PARKINSON'S ISEASE, ANALGESICS MEIJI SEIKA KAISHA, LTD. (JP) 2004-09-14 US disclosed
US-20030176693-A1 Diphenylalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-18 US disclosed
EP-1277737-A1 DIPHENYLALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2003-01-22 EP 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-20030176693-A1 Diphenylalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRL1 KCNA3 424/4885OPRD1 4/4885OPRM1 1/4885

“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.