SCHEMBL590303

SCHEMBL590303

Cc1[nH]c(=O)cc(Br)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 1/20 0.39
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LPO P22079 1/20 0.37
PTGS1 P23219 1/20 0.37
GAA P10253 3/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
JAK1 P23458 1/20 0.34
PDE3B Q13370 2/20 0.34

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
SCHEMBL18081923 0.76 ALDH1A1 (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4928504 0.75 KDM4E (0.47) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6247191 0.71 KDM4E (0.41) ALDH1A1KDM4ELMNACA1CYP1A2
SCHEMBL1851496 0.71 KDM4E (0.44) ALDH1A1KDM4ELMNACA1CYP1A2
SCHEMBL2674746 0.68
SCHEMBL13086842 0.64 APEX1 (0.53) ALDH1A1CA1GAAHPGD
SCHEMBL5778579 0.64 ACHE (0.40) ALDH1A1
SCHEMBL642403 0.64 TSHR (0.47) ALDH1A1LMNAHTTMAPTHPGD
SCHEMBL589096 0.63
SCHEMBL3995513 0.63

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 38 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-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8754076-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Vitae Pharmaceuticals, Inc./Boehringer-Ingelheim (DE) 2014-06-17 US disclosed
US-8680093-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8673899-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
EP-2687525-A1 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed
US-8629138-B2 2014-01-14 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
US-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-01-27 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-01-13 US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed
US-20090105255-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
US-20090105255-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 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 (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-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 290/4885GRIN2D 3055/4885GRIN3B 2840/4885
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 ALDH1A1 512/4885GRIN2D 1325/4885GRIN3B 701/4885
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 358/4885GRIN2D 2857/4885GRIN3B 2755/4885
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 350/4885GRIN2D 2841/4885GRIN3B 2787/4885
US-20090105255-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 1177/4885GRIN2D 3196/4885GRIN3B 2019/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 98/4885GRIN2D 1121/4885GRIN3B 917/4885

“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.