SCHEMBL6779960

SCHEMBL6779960

CCN(CC)C(=O)c1ccc(C(CCN2CCC(n3c(=O)n(Cc4ccccc4)c4ccccc43)CC2)c2cccc(OC)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TACR2 P21452 5/20 0.51
TACR1 P25103 5/20 0.51
TACR3 P29371 5/20 0.51
OPRM1 P35372 6/20 0.50
OPRL1 P41146 5/20 0.50
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CCR5 P51681 2/20 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
SCHEMBL6775075 0.91 TACR2 (0.49) TACR2TACR1TACR3OPRM1OPRL1
SCHEMBL6774082 0.85 TACR2 (0.56) CYP3A4CYP2D6TACR2TACR1TACR3
SCHEMBL6780052 0.83 CCR5 (0.62) CYP2D6OPRM1OPRD1OPRK1CCR5
SCHEMBL6780430 0.81 CCR5 (0.49) CYP3A4CYP2D6OPRM1OPRD1OPRK1
SCHEMBL6778865 0.81 TACR2 (0.55) CYP3A4TACR2OPRM1OPRD1OPRK1
SCHEMBL6779973 0.81 OPRM1 (0.59) CYP3A4CYP2D6TACR2TACR1TACR3
SCHEMBL6780806 0.79 HSD11B1 (0.57) TACR2TACR1TACR3OPRM1OPRL1
SCHEMBL6778076 0.78 PLD2 (0.62) CYP3A4CYP2D6TACR2TACR1TACR3
SCHEMBL6774420 0.78 CCR5 (0.47) CYP3A4OPRM1OPRD1OPRK1CCR5
SCHEMBL6778528 0.77 OPRM1 (0.57) CYP3A4CYP2D6TACR2OPRM1OPRL1

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 CYP3A4 1098/4885CYP2D6 456/4885TACR2 50/4885

“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.