SCHEMBL490140

SCHEMBL490140

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2C(C)SC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.41
OPRM1 P35372 10/20 0.41
CYP2D6 P10635 3/20 0.37
KCNH2 Q12809 3/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL490111 0.88 OPRD1 (0.53) OPRD1OPRM1CYP2D6KCNH2
SCHEMBL490141 0.84 OPRM1 (0.46) OPRD1OPRM1
SCHEMBL490076 0.82 OPRM1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL490182 0.82 OPRD1 (0.40) OPRD1OPRM1CYP2D6KCNH2OPRK1
SCHEMBL489911 0.80 OPRM1 (0.48) OPRD1OPRM1
SCHEMBL489982 0.79 OPRD1 (0.53) OPRD1OPRM1CYP2D6KCNH2OPRK1
SCHEMBL29457700 0.79 OPRD1 (0.53) OPRD1OPRM1CYP2D6KCNH2OPRK1
SCHEMBL31270719 0.79 OPRD1 (0.53) OPRD1OPRM1CYP2D6KCNH2OPRK1
SCHEMBL490029 0.78 OPRM1 (0.46) OPRD1OPRM1
SCHEMBL490625 0.76 SETD7 (0.60) OPRD1OPRM1CYP2D6KCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-7982042-B2 delta-opioid receptor agonists as analgesics having reduced side effects and antagonists as immunosuppressants, antiinflammatory agents, neurological, psychiatric , urological and reproductive conditions;N-{2-[10-(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenothiazine-3-yl]-phenyl}-acetamide Janseen Pharmacautica NV (BE) 2011-07-19 US disclosed
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 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-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885CYP2D6 359/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885CYP2D6 359/4885

“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.