SCHEMBL2250288

SCHEMBL2250288

CCOC(=O)c1ccc(C(=O)C2CCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
POLB P06746 3/20 0.54
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HTT P42858 4/20 0.53
NPC1 O15118 3/20 0.52
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL11900945 0.97 POLB (0.58) RAB9ACA12CA1CA2CA7
SCHEMBL2245806 0.93 RAB9A (0.65) RAB9ACA12CA1CA2CA7
SCHEMBL15943127 0.84 RAB9A (0.55) RAB9ACA12CA1CA2CA7
Cyclohexane SCHEMBL2917907 0.82 CA1 (0.73) RAB9ACA12CA1CA2CA7
SCHEMBL11901124 0.81 CA12 (0.53) RAB9ACA12CA1CA2CA7
SCHEMBL25233963 0.80 RAB9A (0.89) RAB9APOLBCYP1A2LMNAALDH1A1
SCHEMBL1363417 0.80 ALDH1A1 (0.59) RAB9APOLBALDH1A1HTTHPGD
SCHEMBL87450 0.80 CA1 (0.83) RAB9ACA12CA1CA2CA7
SCHEMBL11901153 0.80 CA12 (0.51) RAB9ACA12CA1CA2CA7
SCHEMBL8119800 0.78 KMT2A (0.68) RAB9APOLBCYP1A2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
CN-103370306-B Glucagon Receptor Modulators PFIZER INC. (US) 2015-12-02 CN disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 US disclosed
US-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. 2006-11-09 US disclosed
CN-1859908-A 3,5-aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as S1P receptor agonists MERCK & CO INC (US) 2006-11-08 CN disclosed
EP-1670463-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-06-21 EP disclosed
CN-1788008-A 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as S1P receptor agonists MERCK & CO INC (US) 2006-06-14 CN disclosed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 WO disclosed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 WO disclosed
EP-1625123-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-02-15 EP disclosed
WO-2005032465-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-04-14 WO disclosed
WO-2004103279-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-12-02 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 (4 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-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists S1PR3, S1PR1, S1PR5 RAB9A 3645/4885CA12 4871/4885CA1 4857/4885
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 RAB9A 1825/4885CA12 2808/4885CA1 3307/4885
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists S1PR1, S1PR3, S1PR5 RAB9A 2918/4885CA12 4853/4885CA1 4812/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 RAB9A 1825/4885CA12 2808/4885CA1 3307/4885

“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.