SCHEMBL489982

SCHEMBL489982

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.53
OPRM1 P35372 5/20 0.53
KCNH2 Q12809 10/20 0.43
CYP2D6 P10635 8/20 0.43
OPRK1 P41145 1/20 0.43
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29457700 1.00 OPRD1 (0.53) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL31270719 1.00 OPRD1 (0.53) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL490202 0.90 OPRD1 (0.55) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL4521987 0.88 OPRD1 (0.44) OPRD1OPRM1KCNH2CYP2D6PDK2
SCHEMBL4507471 0.88 OPRD1 (0.47) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL490547 0.88 OPRD1 (0.49) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL3970059 0.88 OPRD1 (0.40) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL490192 0.87 OPRD1 (0.46) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL4509385 0.87 OPRD1 (0.48) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL489963 0.87 OPRM1 (0.45) OPRD1OPRM1LMNAHPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289489-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-09-17 US claimed
EP-3432884-A1 COMBINATION FOR TREATING PAIN Regents of the University of Minnesota (US) 2019-01-30 EP claimed
WO-2017165558-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-09-28 WO claimed
US-11529340-B2 Combination for treating pain REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-12-20 US disclosed
US-20200289489-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-09-17 US disclosed
EP-3432884-A1 COMBINATION FOR TREATING PAIN Regents of the University of Minnesota (US) 2019-01-30 EP disclosed
WO-2017165558-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-09-28 WO disclosed
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-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-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 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 (6 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885KCNH2 618/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885KCNH2 618/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885KCNH2 618/4885
US-20200289489-A1 COMBINATION FOR TREATING PAIN OPRL1, ACHE, OPRK1 OPRD1 6/4885OPRM1 12/4885KCNH2 493/4885
US-11529340-B2 Combination for treating pain OPRL1, ACHE, OPRK1 OPRD1 6/4885OPRM1 12/4885KCNH2 493/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885KCNH2 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.