SCHEMBL1969926

SCHEMBL1969926

CCOC(=O)C(C)(C)Oc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
ABCB11 O95342 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
GRM2 Q14416 1/20 0.53
PPARG P37231 2/20 0.51
FBP1 P09467 6/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4029401 0.86 GRM2 (0.55) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL2398118 0.84 SMN1; SMN2 (0.52) TSHRGRM2MAPK1SMN1; SMN2CCNC
SCHEMBL11063475 0.83 PPARA (0.54) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL2824491 0.81 PPARA (0.71) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL3371452 0.81 PPARA (0.61) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL3372165 0.80 PPARA (0.50) PPARACYP1A2CYP3A4TSHRPPARG
SCHEMBL4877927 0.77 PPARA (0.53) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL4574722 0.77 ALDH1A1 (0.50) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL3372231 0.77 PPARA (0.49) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL197217 0.77 PPARA (0.60) PPARACYP1A2CYP3A4TSHRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 US disclosed
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed
EP-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 EP disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 US disclosed
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 EP disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 US disclosed
CN-1040753-C Pyridine derivatives and the preparation thereof ICI PLC (GB) 1998-11-18 CN disclosed
US-5401849-A FOR ANTAGONIZING THE ACTIONS OF, AND INHIBITING THE SYNTHESIS OF, THROMBOXANE A2 ZENECA LIMITED (GB) 1995-03-28 US disclosed
EP-0329360-B1 Pyridine derivatives ICI PLC (GB) 1994-08-03 EP disclosed
US-5248780-A Thromboxane inhibitors IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1993-09-28 US disclosed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
EP-0288279-B1 1,3-DIOXANES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-09 EP disclosed
US-4921866-A 1,3-dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-01 US disclosed
CN-1035115-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1989-08-30 CN disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed
EP-0288279-A2 1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-26 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-20090312372-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 PPARA 2125/4885CYP1A2 32/4885CYP3A4 30/4885
US-20080269288-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 PPARA 2125/4885CYP1A2 32/4885CYP3A4 30/4885
US-20090306075-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 PPARA 2125/4885CYP1A2 32/4885CYP3A4 30/4885

“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.