SCHEMBL490026

SCHEMBL490026

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccc(NC(C)=O)cc1C2=C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.41
OPRM1 P35372 11/20 0.41
OPRK1 P41145 6/20 0.39
KCNH2 Q12809 7/20 0.38
CYP2D6 P10635 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
ABCB11 O95342 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
SCHEMBL490616 0.88 SETD7 (0.41) OPRD1OPRM1KCNH2TDP1
SCHEMBL490144 0.84 OPRD1 (0.52) OPRD1OPRM1OPRK1KCNH2CYP2D6
SCHEMBL5090960 0.76 OPRD1 (0.45) OPRD1OPRM1OPRK1KCNH2CYP2D6
SCHEMBL5096902 0.74 OPRD1 (0.48) OPRD1OPRM1OPRK1KCNH2CYP2D6
SCHEMBL490625 0.71 SETD7 (0.60) OPRD1OPRM1OPRK1KCNH2CYP2D6
SCHEMBL490545 0.70 OPRD1 (0.47) OPRD1OPRM1OPRK1KCNH2CYP2D6
SCHEMBL4995209 0.70 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4507471 0.70 OPRD1 (0.47) OPRD1OPRM1OPRK1KCNH2CYP2D6
SCHEMBL4521987 0.70 OPRD1 (0.44) OPRD1OPRM1KCNH2CYP2D6ABCB11
SCHEMBL5103258 0.70 OPRD1 (0.47) OPRD1OPRM1OPRK1KCNH2CYP2D6

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 8 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-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 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
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
US-20050009860-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-13 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 (4 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 4/4885OPRK1 2/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20110245291-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.