SCHEMBL5111751

SCHEMBL5111751

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ncc[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.46
OPRM1 P35372 6/20 0.45
OPRK1 P41145 5/20 0.45
PARP1 P09874 1/20 0.42
CTSD P07339 1/20 0.39
CXCR4 P61073 1/20 0.38
P2RX4 Q99571 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
SCHEMBL5514359 0.89 PARP1 (0.39) OPRD1OPRM1OPRK1PARP1CTSD
SCHEMBL13395053 0.88 OPRD1 (0.40) OPRD1OPRM1OPRK1P2RX4
SCHEMBL13394998 0.88 OPRD1 (0.40) OPRD1OPRM1OPRK1P2RX4
SCHEMBL3173328 0.88 OPRD1 (0.40) OPRD1OPRM1OPRK1P2RX4
Diethylamine SCHEMBL5514363 0.86 PARP1 (0.40) OPRD1OPRM1OPRK1PARP1CTSD
SCHEMBL5119775 0.86 OPRD1 (0.46) OPRD1OPRM1OPRK1PARP1
SCHEMBL5112789 0.84 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL14015424 0.84 ADRA1D (0.38) OPRD1OPRM1OPRK1P2RX4
SCHEMBL5111719 0.84 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL5112226 0.83 OPRD1 (0.44) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US claimed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US claimed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US 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 (2 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-20060148823-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885OPRK1 2/4885

“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.