SCHEMBL6780052

SCHEMBL6780052

CCN(CC)C(=O)c1ccc(C(CCN2CCC(n3c(C)nc4ccccc43)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.62
CYP2D6 P10635 2/20 0.62
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 1/20 0.47
FPR2 P25090 1/20 0.46

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
SCHEMBL6780430 0.91 CCR5 (0.49) CCR5CYP2D6OPRM1OPRD1OPRK1
SCHEMBL6778865 0.87 TACR2 (0.55) CCR5OPRM1OPRD1OPRK1
SCHEMBL6774082 0.84 TACR2 (0.56) CYP2D6OPRM1OPRD1OPRK1
SCHEMBL6779960 0.83 CYP3A4 (0.51) CCR5CYP2D6OPRM1OPRD1OPRK1
SCHEMBL6775075 0.83 TACR2 (0.49) CCR5OPRM1OPRD1
Hydrochloric Acid SCHEMBL6777713 0.81 CCR5 (0.51) CCR5CYP2D6OPRM1OPRD1OPRK1
SCHEMBL6779973 0.80 OPRM1 (0.59) CYP2D6OPRM1OPRD1OPRK1
SCHEMBL6780806 0.79 HSD11B1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL12531380 0.79 CCR5 (1.00) CCR5CYP2D6OPRM1
SCHEMBL6778735 0.79 CCR5 (0.47) CCR5CYP2D6OPRM1OPRD1OPRK1

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 272/4885CYP2D6 456/4885OPRM1 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.