SCHEMBL693240

SCHEMBL693240

CC(C)(C)OC(=O)Nc1[c]cccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AKT1 P31749 2/20 0.38
MAPK10 P53779 1/20 0.38
CYP17A1 P05093 1/20 0.37
KDM4A O75164 1/20 0.37
ATR Q13535 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL27576580 0.85 CA12 (0.37) CA12CA1CA7CA14LMNA
SCHEMBL2648817 0.84 NPFFR1 (0.40) CA12CA1CA7CA14LMNA
SCHEMBL1415961 0.82 SMN1; SMN2 (0.43) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL5501120 0.81 CA12 (0.34) CA12CA1CA7CA14LMNA
SCHEMBL2934983 0.79 FAAH (0.46) POLB
SCHEMBL28133756 0.78 CA12 (0.39) CA12CA1RXFP1CYP17A1ATR
SCHEMBL7392768 0.78 MIF (0.39) CA12CA1CA7CA14LMNA
SCHEMBL1206364 0.77 L3MBTL1 (0.53) CA12CA1CA7CA14LMNA
SCHEMBL2531725 0.77 HPGD (0.45) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL1416126 0.77 HPGD (0.49) LMNAPOLBMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 EP claimed
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 US claimed
EP-2643295-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS Chiesi Farmaceutici S.p.A. (IT) 2013-10-02 EP claimed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN claimed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
CN-102803210-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-11-28 CN claimed
WO-2012069275-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 WO claimed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 US claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
CN-1658855-B O-substituted hydroxyaryl derivatives INST MED MOLECULAR DESIGN INC 2010-04-28 CN claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
CN-109942514-A A method of preparing sulfuric acid A Zhalawei intermediate 淮海工学院 2019-06-28 CN disclosed
EP-0465369-A1 N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1992-01-08 EP disclosed
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN 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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CA12 4272/4885CA1 4624/4885CA7 3643/4885
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG CA12 2431/4885CA1 1190/4885CA7 2500/4885
US-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CA12 4474/4885CA1 2849/4885CA7 3332/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CA12 4474/4885CA1 2849/4885CA7 3332/4885

“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.