SCHEMBL490625

SCHEMBL490625

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 4/20 0.60
OPRD1 P41143 9/20 0.50
KCNH2 Q12809 7/20 0.48
OPRK1 P41145 3/20 0.43
CYP2D6 P10635 4/20 0.42
OPRM1 P35372 3/20 0.41
PDK2 Q15119 1/20 0.41
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ABCB11 O95342 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL490694 0.90 OPRD1 (0.47) SETD7OPRD1KCNH2OPRK1CYP2D6
SCHEMBL490442 0.89 SETD7 (0.44) SETD7OPRD1KCNH2OPRK1CYP2D6
SCHEMBL490054 0.88 SETD7 (0.44) SETD7OPRD1KCNH2OPRK1CYP2D6
SCHEMBL490434 0.88 OPRD1 (0.48) SETD7OPRD1KCNH2OPRK1OPRM1
SCHEMBL490062 0.86 OPRD1 (0.55) SETD7OPRD1OPRK1OPRM1
SCHEMBL490144 0.86 OPRD1 (0.52) OPRD1KCNH2OPRK1CYP2D6OPRM1
Hydrochloric Acid SCHEMBL490558 0.85 SETD7 (0.41) SETD7OPRD1KCNH2OPRK1CYP2D6
SCHEMBL489991 0.85 SETD7 (0.41) SETD7OPRD1KCNH2OPRK1CYP2D6
SCHEMBL489990 0.85 SETD7 (0.41) SETD7OPRD1KCNH2OPRK1CYP2D6
SCHEMBL490616 0.85 SETD7 (0.41) SETD7OPRD1KCNH2OPRM1HTR1A

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 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.