SCHEMBL490493

SCHEMBL490493

CCNC(=O)c1ccc2c(c1)OCc1ccccc1C2=C1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.48
KCNH2 Q12809 1/20 0.46
SETD7 Q8WTS6 2/20 0.45
ROCK1 Q13464 2/20 0.44
ALDH1A1 P00352 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
SCHEMBL3138906 0.90 ROCK2 (0.45) ROCK2KCNH2SETD7ROCK1ALDH1A1
SCHEMBL490273 0.88 OPRD1 (0.46) ROCK2KCNH2ROCK1PIK3CAPIK3CB
SCHEMBL490378 0.88 ROCK2 (0.48) ROCK2KCNH2ROCK1PIK3CAPIK3CB
SCHEMBL490195 0.85 SETD7 (0.51) KCNH2SETD7ALDH1A1
SCHEMBL490299 0.85 HRH1 (0.42) ROCK2KCNH2ROCK1ALDH1A1PIK3CA
SCHEMBL490196 0.84 SETD7 (0.48) ROCK2KCNH2SETD7ALDH1A1
SCHEMBL490434 0.84 OPRD1 (0.48) ROCK2KCNH2SETD7
SCHEMBL3142605 0.82 KDM4E (0.45) KCNH2SETD7ALDH1A1
SCHEMBL3138213 0.82 MAPK1 (0.46) ROCK2KCNH2SETD7
SCHEMBL3132987 0.81 SETD7 (0.46) KCNH2SETD7ALDH1A1

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 2549/4885KCNH2 618/4885SETD7 4197/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ROCK2 2549/4885KCNH2 618/4885SETD7 4197/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ROCK2 2549/4885KCNH2 618/4885SETD7 4197/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ROCK2 2549/4885KCNH2 618/4885SETD7 4197/4885

“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.