SCHEMBL6778865

SCHEMBL6778865

CCN(CC)C(=O)c1ccc(C(CCN2CCC(n3cnc4ccccc43)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.55
CCR5 P51681 2/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 1/20 0.48
DRD2 P14416 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
Hydrochloric Acid SCHEMBL6777403 0.89 TACR2 (0.56) TACR2CCR5OPRM1OPRD1OPRK1
SCHEMBL6780052 0.87 CCR5 (0.62) CCR5OPRM1OPRD1OPRK1
SCHEMBL6780430 0.85 CCR5 (0.49) CCR5OPRM1OPRD1OPRK1CYP1A2
SCHEMBL6778397 0.85 DRD2 (0.50) TACR2CCR5OPRM1OPRK1DRD2
SCHEMBL6774082 0.83 TACR2 (0.56) TACR2OPRM1OPRD1OPRK1DRD2
SCHEMBL6779960 0.81 CYP3A4 (0.51) TACR2CCR5OPRM1OPRD1OPRK1
SCHEMBL6775075 0.81 TACR2 (0.49) TACR2CCR5OPRM1OPRD1
SCHEMBL6774420 0.79 CCR5 (0.47) CCR5OPRM1OPRD1OPRK1CYP1A2
SCHEMBL6779973 0.79 OPRM1 (0.59) TACR2OPRM1OPRD1OPRK1DRD2
SCHEMBL5858616 0.78 DRD2 (0.69) TACR2CCR5OPRM1DRD2SLC6A4

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 TACR2 50/4885CCR5 272/4885OPRM1 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.