SCHEMBL116553

SCHEMBL116553

O=c1cc(O)ccn1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
AOC3 Q16853 2/20 0.37
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.34
DHODH Q02127 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
SCD O00767 1/20 0.33

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
SCHEMBL4056563 0.91 POLB (0.43) AOC3MAOAMAOBGLAPOLB
SCHEMBL633454 0.89 ESR2 (0.41) OPRM1AOC3KCNH2HSD11B1MAOA
SCHEMBL29995498 0.82 KRAS (0.31) MAOAMAOB
SCHEMBL633650 0.81 HPGD (0.36) OPRM1LMNAHSD11B1DHODHMAOA
SCHEMBL11885654 0.76 AOC3 (0.39) AOC3KCNH2DHODH
SCHEMBL15651880 0.76 SMN1; SMN2 (0.48) AOC3KCNH2HSD11B1DHODHPOLB
SCHEMBL119040 0.76 AOC3 (0.37) AOC3KCNH2LMNAHSD11B1DHODH
SCHEMBL588936 0.76 AOC3 (0.37) AOC3KCNH2HSD11B1DHODH
SCHEMBL27369736 0.76 GPR119 (0.49)
SCHEMBL31416809 0.76 AOC3 (0.35) AOC3KCNH2LMNAHSD11B1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
CN-104327062-A Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INT 2015-02-04 CN disclosed
EP-2324017-B1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-12-31 EP disclosed
EP-2324017-B1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-12-31 EP disclosed
CN-102119160-B Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INT 2014-11-05 CN disclosed
US-8846668-B2 Inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2010010157-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2010010157-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO 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 (1 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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B OPRM1 3994/4885AOC3 3441/4885KCNH2 3983/4885

“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.