SCHEMBL490694

SCHEMBL490694

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CCN(CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.47
SETD7 Q8WTS6 1/20 0.46
OPRM1 P35372 6/20 0.43
OPRK1 P41145 5/20 0.43
KCNH2 Q12809 7/20 0.41
CYP2D6 P10635 3/20 0.40
PDK2 Q15119 1/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL490625 0.90 SETD7 (0.60) OPRD1SETD7OPRM1OPRK1KCNH2
SCHEMBL490062 0.87 OPRD1 (0.55) OPRD1SETD7OPRM1OPRK1
Hydrochloric Acid SCHEMBL490558 0.86 SETD7 (0.41) OPRD1SETD7OPRM1OPRK1KCNH2
SCHEMBL490442 0.85 SETD7 (0.44) OPRD1SETD7OPRM1OPRK1KCNH2
SCHEMBL490054 0.84 SETD7 (0.44) OPRD1SETD7OPRM1OPRK1KCNH2
SCHEMBL490314 0.83 OPRD1 (0.40) OPRD1SETD7OPRM1OPRK1KCNH2
SCHEMBL489991 0.83 SETD7 (0.41) OPRD1SETD7OPRM1OPRK1KCNH2
SCHEMBL489990 0.83 SETD7 (0.41) OPRD1SETD7OPRM1OPRK1KCNH2
SCHEMBL490144 0.83 OPRD1 (0.52) OPRD1OPRM1OPRK1KCNH2CYP2D6
SCHEMBL490111 0.80 OPRD1 (0.53) OPRD1OPRM1KCNH2CYP2D6

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 10 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
EP-1644373-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-12 EP disclosed
WO-2005003131-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO 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 1/4885SETD7 4197/4885OPRM1 4/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885SETD7 4197/4885OPRM1 4/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885SETD7 4197/4885OPRM1 4/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885SETD7 4197/4885OPRM1 4/4885

“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.