Sugi Predict

Sugi Predict / Compounds / SCHEMBL490214

SCHEMBL490214

SCHEMBL490214

CN1CCC(=C2c3ccccc3COc3cc(Br)ccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 5/20 0.56
▸ KCNH2 Q12809 6/20 0.49
▸ CHRM2 P08172 5/20 0.49
▸ CHRM1 P11229 5/20 0.49
▸ ADRA1A P35348 5/20 0.49
▸ HTR2B P41595 5/20 0.49
▸ HTR1A P08908 4/20 0.49
▸ ADRA2A P08913 4/20 0.49
▸ DRD1 P21728 4/20 0.49
▸ DRD3 P35462 4/20 0.49
▸ HTR2A P28223 4/20 0.49
▸ HTR2C P28335 4/20 0.49
▸ HRH1 P35367 4/20 0.49
▸ SLC6A2 P23975 3/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ SLC6A3 Q01959 3/20 0.49
▸ DRD2 P14416 3/20 0.49
▸ ADRA2B P18089 3/20 0.49
▸ ADRA2C P18825 3/20 0.49
▸ ADRA1D P25100 3/20 0.49

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
SCHEMBL3134916 0.90 SETD7 (0.56) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL13712944 0.86 SETD7 (0.57) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL11600017 0.85 SETD7 (0.71) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL11576524 0.85 SETD7 (0.56) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL13712942 0.85 SETD7 (0.56) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL490256 0.84 SETD7 (0.76) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL3138524 0.81 SETD7 (0.52) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL490195 0.81 SETD7 (0.51) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL11521925 0.80 SETD7 (0.73) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL11573091 0.79 SETD7 (0.76) SETD7KCNH2CHRM2CHRM1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067777-B1 OXEPIN DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-08-14 — — EP disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 — — US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 — — US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 — — US disclosed
US-8222419-B2 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 — — US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 — — US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 — — 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-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 — — 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-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-20100004456-A1 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 — — US disclosed
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 — — 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-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-2067777-A1 OXEPIN DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-06-10 — — EP 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 4197/4885KCNH2 618/4885CHRM2 125/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885KCNH2 618/4885CHRM2 125/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SETD7 4197/4885KCNH2 618/4885CHRM2 125/4885
US-20100004456-A1 Oxepin derivative HRH4, HRH3, HCRTR2 SETD7 2087/4885KCNH2 1909/4885CHRM2 108/4885

“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.