SCHEMBL490331

SCHEMBL490331

CCN(CC)C(=O)c1ccc2c(c1)Sc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.53
OPRM1 P35372 6/20 0.53
TP53 P04637 3/20 0.46
PDK2 Q15119 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 3/20 0.38
KCNH2 Q12809 3/20 0.38
OPRK1 P41145 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6530674 0.86 OPRM1 (0.40) OPRD1OPRM1TP53HPGDLMNA
SCHEMBL490580 0.81 OPRM1 (0.48) OPRD1OPRM1TP53
SCHEMBL489982 0.81 OPRD1 (0.53) OPRD1OPRM1PDK2HPGDALDH1A1
SCHEMBL29457700 0.81 OPRD1 (0.53) OPRD1OPRM1PDK2HPGDALDH1A1
SCHEMBL31270719 0.81 OPRD1 (0.53) OPRD1OPRM1PDK2HPGDALDH1A1
SCHEMBL490087 0.81 OPRM1 (0.40) OPRD1OPRM1TP53PDK2MAPT
SCHEMBL490547 0.76 OPRD1 (0.49) OPRD1OPRM1PDK2MAPTHPGD
SCHEMBL490192 0.75 OPRD1 (0.46) OPRD1OPRM1PDK2HPGDCYP2D6
SCHEMBL4509385 0.75 OPRD1 (0.48) OPRD1OPRM1PDK2HPGDCYP2D6
SCHEMBL490202 0.75 OPRD1 (0.55) OPRD1OPRM1HPGDCYP2D6KCNH2

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 1/4885OPRM1 4/4885TP53 4774/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885TP53 4774/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885TP53 4774/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885TP53 4774/4885

“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.