SCHEMBL117578

SCHEMBL117578

CCC(O)(CCCl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM3 P20309 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KCNN4 O15554 2/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
BCL2 P10415 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL23014014 0.83 CYP2C19 (0.48) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL10390937 0.83 ESR2 (0.42) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL4307361 0.83 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL28639570 0.82 CYP2C19 (0.47) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL7122087 0.80 CYP1A2 (0.45) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL4168677 0.80 CYP1A2 (0.45) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL12525234 0.79 CYP2C19 (0.41) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL12487912 0.79 CYP2C19 (0.41) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL121234 0.79 CYP2C19 (0.41) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2
SCHEMBL27527252 0.78 CYP1A2 (0.53) CYP2C19CYP1A2CYP2C9CHRM3SMN1; SMN2

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 34 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-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-8575157-B2 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 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-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-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
EP-1569931-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004055011-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-6660884-B2 Catalyst promote synthesis of tertiary alcohols with enantioselectivity; Bicyclo(2.2.1)heptane-1-methane sulfonamide-N,N'-(1S,2S)-1,2-cyclohexanediylbis(2-hydroxy-7,7-dimethyl) -(1R,1'R,2S,2'S,4S,4'S) THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-12-09 US disclosed
US-20030191345-A1 CATALYSTS, METHODS FOR MAKING SAID CATALYSTS, AND METHODS FOR MAKING CHIRAL COMPOUNDS WITH HIGH ENANTIOSELECTIVITY TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2003-10-09 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 (2 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-20030191345-A1 CATALYSTS, METHODS FOR MAKING SAID CATALYSTS, AND METHODS FOR MAKING CHIRAL COMPOUNDS WITH HIGH ENANTIOSELECTIVITY COASY, HMGCR, ALKBH1 CYP2C19 183/4885CYP1A2 117/4885CYP2C9 58/4885
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP2C19 246/4885CYP1A2 70/4885CYP2C9 307/4885

“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.