SCHEMBL489990

SCHEMBL489990

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CCN(/C=N/c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.41
OPRD1 P41143 11/20 0.38
KCNH2 Q12809 6/20 0.38
CYP2D6 P10635 3/20 0.38
OPRK1 P41145 5/20 0.38
OPRM1 P35372 4/20 0.38
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL489991 1.00 SETD7 (0.41) SETD7OPRD1KCNH2CYP2D6OPRK1
SCHEMBL490442 0.86 SETD7 (0.44) SETD7OPRD1KCNH2CYP2D6OPRK1
SCHEMBL490625 0.85 SETD7 (0.60) SETD7OPRD1KCNH2CYP2D6OPRK1
SCHEMBL490694 0.83 OPRD1 (0.47) SETD7OPRD1KCNH2CYP2D6OPRK1
SCHEMBL490062 0.81 OPRD1 (0.55) SETD7OPRD1OPRK1OPRM1
SCHEMBL490054 0.81 SETD7 (0.44) SETD7OPRD1KCNH2CYP2D6OPRK1
SCHEMBL490144 0.80 OPRD1 (0.52) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL490558 0.79 SETD7 (0.41) SETD7OPRD1KCNH2CYP2D6OPRK1
SCHEMBL490314 0.77 OPRD1 (0.40) SETD7OPRD1KCNH2CYP2D6OPRK1
SCHEMBL490111 0.75 OPRD1 (0.53) OPRD1KCNH2CYP2D6OPRM1

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

“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.