SCHEMBL1439345

SCHEMBL1439345

CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)CC1CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
SRC P12931 8/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
NR1H3 Q13133 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7712017 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL1439431 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL7809158 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL7807938 1.00 NR1H2 (0.43) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL16772779 0.89 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1902097 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL2522899 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL21466110 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL26791233 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL5397081 0.88 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD11B1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074386-A1 NOVEL AMINO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2016-10-05 EP disclosed
WO-2015079417-A1 NOVEL AMINO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-06-04 WO disclosed
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 EP disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 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 (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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 NR1H2 952/4885SRC 3760/4885CHRM2 1196/4885
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 NR1H2 1085/4885SRC 334/4885CHRM2 4548/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 NR1H2 633/4885SRC 517/4885CHRM2 4574/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI NR1H2 1595/4885SRC 2207/4885CHRM2 4410/4885

“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.