SCHEMBL490616

SCHEMBL490616

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccc(NC(C)=O)cc1C2=C1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
OPRD1 P41143 5/20 0.40
OPRM1 P35372 3/20 0.40
KCNH2 Q12809 3/20 0.40
HTR1A P08908 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL490026 0.88 OPRD1 (0.41) TDP1OPRD1OPRM1KCNH2
SCHEMBL490625 0.85 SETD7 (0.60) SETD7OPRD1OPRM1KCNH2HTR1A
SCHEMBL490694 0.76 OPRD1 (0.47) SETD7OPRD1OPRM1KCNH2HPGD
SCHEMBL490434 0.75 OPRD1 (0.48) SETD7OPRD1OPRM1KCNH2HPGD
SCHEMBL490442 0.74 SETD7 (0.44) SETD7OPRD1OPRM1KCNH2HPGD
SCHEMBL490054 0.74 SETD7 (0.44) SETD7OPRD1OPRM1KCNH2HPGD
SCHEMBL490265 0.73 OPRM1 (0.39) TDP1OPRD1OPRM1KCNH2HTR1A
SCHEMBL490062 0.72 OPRD1 (0.55) SETD7OPRD1OPRM1
SCHEMBL490144 0.72 OPRD1 (0.52) OPRD1OPRM1KCNH2
SCHEMBL3147395 0.72 NPC1 (0.48) SETD7KCNH2HTR1AL3MBTL1NPC1

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 4197/4885TDP1 3925/4885OPRD1 1/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885TDP1 3925/4885OPRD1 1/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SETD7 4197/4885TDP1 3925/4885OPRD1 1/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885TDP1 3925/4885OPRD1 1/4885

“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.