SCHEMBL6774524

SCHEMBL6774524

CCN(CC)S(=O)(=O)c1ccc(C(CCN2CCC3(CC2)CNC(=O)c2cccc(C)c23)c2cccc(OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.47
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
OPRD1 P41143 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6777694 0.85 OPRD1 (0.48) CCR5OPRM1OPRD1
Hydrochloric Acid SCHEMBL6778038 0.76 OPRD1 (0.43) CCR5OPRM1OPRD1
SCHEMBL6778542 0.73 OPRD1 (0.39) CCR5OPRM1OPRD1
SCHEMBL6773959 0.71 LMNA (0.49) CCR5OPRD1
SCHEMBL6778256 0.64 OPRM1 (0.54) DRD2DRD4OPRM1DRD3OPRD1
SCHEMBL6780476 0.63 KCNA3 (0.52) OPRM1OPRD1
SCHEMBL6249399 0.59 PARP1 (0.46)
SCHEMBL5307506 0.58 CCR5 (0.50) CCR5DRD2
SCHEMBL6412380 0.58 OPRL1 (0.53) DRD2OPRM1DRD3OPRD1KCNH2
SCHEMBL6246975 0.57 MAPKAPK2 (0.34)

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 CCR5 272/4885DRD2 95/4885DRD4 140/4885

“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.