SCHEMBL5115249

SCHEMBL5115249

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1N2C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.47
P2RX4 Q99571 1/20 0.44
KCNH2 Q12809 8/20 0.43
CYP2D6 P10635 7/20 0.43
OPRM1 P35372 8/20 0.43
OPRK1 P41145 4/20 0.43
HPGD P15428 1/20 0.39

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
SCHEMBL5112129 0.88 P2RX4 (0.39) OPRD1P2RX4KCNH2CYP2D6OPRM1
SCHEMBL5125316 0.88 OPRD1 (0.45) OPRD1P2RX4KCNH2OPRM1OPRK1
SCHEMBL3168207 0.86 OPRD1 (0.49) OPRD1P2RX4KCNH2CYP2D6OPRM1
SCHEMBL13395006 0.86 OPRD1 (0.49) OPRD1P2RX4KCNH2CYP2D6OPRM1
SCHEMBL13394994 0.86 OPRD1 (0.49) OPRD1P2RX4KCNH2CYP2D6OPRM1
SCHEMBL14000445 0.85 PARP2 (0.41) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL3182429 0.84 OPRM1 (0.48) OPRD1P2RX4OPRM1
SCHEMBL5112872 0.84 KDM4E (0.44) OPRD1P2RX4OPRM1OPRK1
SCHEMBL5112789 0.83 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL5117821 0.82 OPRD1 (0.40) OPRD1P2RX4OPRM1OPRK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885P2RX4 147/4885KCNH2 618/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885P2RX4 147/4885KCNH2 618/4885

“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.