SCHEMBL490046

SCHEMBL490046

O=C(O)c1ccc2c(c1)OCc1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.65
MAPK14 Q16539 9/20 0.57
TTR P02766 1/20 0.57
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.54
SRD5A2 P31213 2/20 0.53
SRD5A1 P18405 1/20 0.53
PTPRC P08575 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8882817 0.90 AKR1B1 (0.56) AKR1B1MAPK14TTRMAPTALDH1A1
SCHEMBL7832007 0.88 MAPT (0.67) AKR1B1TTRMAPTALDH1A1RAB9A
SCHEMBL10922029 0.87 TTR (0.55) AKR1B1TTRMAPTALDH1A1RAB9A
SCHEMBL490527 0.83 MAPK14 (0.56) AKR1B1MAPK14MAPTALDH1A1RAB9A
SCHEMBL8137432 0.83 SRD5A2 (0.50) AKR1B1MAPK14TTRMAPTALDH1A1
SCHEMBL24927572 0.81 SRD5A2 (0.50) AKR1B1MAPK14TTRMAPTRAB9A
SCHEMBL8143121 0.81 TBXA2R (0.53) SRD5A2SRD5A1
SCHEMBL8143124 0.81 TBXA2R (0.53) SRD5A2SRD5A1
SCHEMBL490212 0.80 AKR1B1 (0.56) AKR1B1MAPK14MAPTALDH1A1RAB9A
SCHEMBL490149 0.80 AKR1B1 (0.56) AKR1B1MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0069810-A1 Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions MERCK & CO. INC. (US) 1983-01-19 EP claimed
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-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-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 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
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
EP-0549352-B1 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO KK (JP) 2000-03-01 EP disclosed
US-5607955-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-03-04 US disclosed
US-5478840-A Imidazo(4,5-b)pyridine derivatives used as antagonism to angiotensin ii receptors KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5378701-A Angiotensin II inhibitors; hypotensive agents; congestive heart and kidney failure; glaucoma KYOWA HAKKO KOGYO (JP) 1995-01-03 US disclosed
EP-0549352-A2 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-30 EP 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 (3 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 AKR1B1 628/4885MAPK14 3917/4885TTR 2536/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 AKR1B1 628/4885MAPK14 3917/4885TTR 2536/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 AKR1B1 628/4885MAPK14 3917/4885TTR 2536/4885

“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.