SCHEMBL490434

SCHEMBL490434

CCN(CC)C(=O)c1ccc2c(c1)OCc1ccccc1C2=C1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.48
KCNH2 Q12809 2/20 0.46
SETD7 Q8WTS6 3/20 0.45
OPRK1 P41145 2/20 0.42
OPRM1 P35372 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTAFR P25105 1/20 0.40
ROCK2 O75116 1/20 0.40
PDK2 Q15119 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
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
SCHEMBL490438 0.88 OPRD1 (0.52) OPRD1KCNH2OPRK1OPRM1
SCHEMBL490625 0.88 SETD7 (0.60) OPRD1KCNH2SETD7OPRK1OPRM1
SCHEMBL490195 0.85 SETD7 (0.51) KCNH2SETD7OPRM1MEN1KMT2A
SCHEMBL490594 0.85 HRH1 (0.42) KCNH2OPRK1OPRM1MEN1KMT2A
SCHEMBL490493 0.84 ROCK2 (0.48) KCNH2SETD7ROCK2
Hydrochloric Acid SCHEMBL490617 0.83 OPRD1 (0.55) OPRD1KCNH2OPRM1KMT2AMAPT
SCHEMBL490196 0.82 SETD7 (0.48) KCNH2SETD7OPRK1OPRM1MEN1
SCHEMBL490212 0.80 AKR1B1 (0.56) PDK2MAPT
SCHEMBL3138906 0.80 ROCK2 (0.45) KCNH2SETD7ROCK2HPGD
SCHEMBL3138914 0.79 KCNH2 (0.44) KCNH2SETD7MEN1KMT2APTAFR

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 1/4885KCNH2 618/4885SETD7 4197/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885KCNH2 618/4885SETD7 4197/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885KCNH2 618/4885SETD7 4197/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885KCNH2 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.