SCHEMBL2461695

SCHEMBL2461695

CC(C)(C)OC(=O)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
BTK Q06187 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PIK3CD O00329 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
SCHEMBL12140192 0.88 RECQL (0.41) RECQLHRH3SMN1; SMN2USP2MAPK1
SCHEMBL1295721 0.84 HRH3 (0.51) RECQLHRH3SMN1; SMN2MAPK1CHRM2
SCHEMBL186721 0.84 HRH3 (0.51) RECQLHRH3SMN1; SMN2MAPK1CHRM2
SCHEMBL28492122 0.84 HRH3 (0.51) RECQLHRH3SMN1; SMN2MAPK1CHRM2
SCHEMBL5987119 0.81 RECQL (0.36) RECQLHRH3SMN1; SMN2USP2GAA
SCHEMBL15881327 0.81 RECQL (0.39) RECQLSMN1; SMN2USP2BTKMEN1
SCHEMBL1764699 0.80 HRH3 (0.49) HRH3SMN1; SMN2MAPK1CHRM2CHRM1
SCHEMBL1690233 0.80 HRH3 (0.49) RECQLHRH3SMN1; SMN2MAPK1CHRM2
SCHEMBL28571910 0.79 EPHX2 (0.33) RECQL
SCHEMBL1001856 0.79 HRH3 (0.45) RECQLHRH3SMN1; SMN2USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
EP-2134346-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck & Co., Inc. (US) 2009-12-23 EP disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO disclosed
CN-100432038-C Method for producing nitrile compound, carboxylic acid compound or carboxylic ester compound UBE INDUSTRIES (JP) 2008-11-12 CN disclosed
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 WO disclosed
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 WO disclosed
US-7300953-B2 Process for preparing nitrile compound, carboxylic acid compound or carboxylic acid ester compound UBE INDUSTRIES, LTD (JP) 2007-11-27 US disclosed
US-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran UBE INDUSTRIES, LTD. (JP) 2006-12-21 US disclosed
CN-1852885-A Method for producing nitrile compound, carboxylic acid compound or carboxylic ester compound UBE INDUSTRIES (JP) 2006-10-25 CN disclosed
EP-1671937-A1 METHOD FOR PRODUCING NITRILE COMPOUND, CARBOXYLIC ACID COMPOUND OR CARBOXYLATE COMPOUND Ube Industries, Ltd. (JP) 2006-06-21 EP disclosed
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 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 (5 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 RECQL 2233/4885HRH3 261/4885SMN1; SMN2 4813/4885
US-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran CBR1, ALDH18A1, ME1 RECQL 4335/4885HRH3 770/4885SMN1; SMN2 3011/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 RECQL 2233/4885HRH3 261/4885SMN1; SMN2 4813/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 RECQL 4837/4885HRH3 840/4885SMN1; SMN2 3865/4885
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 RECQL 4098/4885HRH3 750/4885SMN1; SMN2 2121/4885

“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.