SCHEMBL490378

SCHEMBL490378

CCNC(=O)c1ccc2c(c1)OCc1ccccc1C2=C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.48
ROCK1 Q13464 2/20 0.44
CYP2D6 P10635 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL490493 0.88 ROCK2 (0.48) ROCK2ROCK1KCNH2PIK3CAPIK3CB
SCHEMBL490545 0.86 OPRD1 (0.47) ROCK2ROCK1CYP2D6OPRD1OPRK1
SCHEMBL490273 0.82 OPRD1 (0.46) ROCK2ROCK1OPRD1KCNH2PIK3CA
SCHEMBL5091002 0.81 OPRD1 (0.40) ROCK2ROCK1CYP2D6OPRD1OPRK1
SCHEMBL490149 0.80 AKR1B1 (0.56) ROCK2ROCK1
SCHEMBL490299 0.79 HRH1 (0.42) ROCK2ROCK1CYP2D6OPRK1KCNH2
SCHEMBL3138906 0.78 ROCK2 (0.45) ROCK2ROCK1KCNH2
SCHEMBL490633 0.76 OPRM1 (0.57) ROCK2OPRD1
SCHEMBL31350805 0.74 HRH1 (0.47) CYP2D6OPRK1KCNH2
SCHEMBL8317130 0.74 HRH1 (0.47) CYP2D6OPRK1KCNH2

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 ROCK2 2549/4885ROCK1 2509/4885CYP2D6 359/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ROCK2 2549/4885ROCK1 2509/4885CYP2D6 359/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ROCK2 2549/4885ROCK1 2509/4885CYP2D6 359/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ROCK2 2549/4885ROCK1 2509/4885CYP2D6 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.