SCHEMBL6891275

SCHEMBL6891275

CC(C)(C)OC(=O)N1Cc2cnn(CC(N)=O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
MAPT P10636 2/20 0.39
ESR2 Q92731 1/20 0.38
SLC34A1 Q06495 2/20 0.38
HPGDS O60760 2/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 3/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
HDAC1 Q13547 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
SCHEMBL20738562 0.86 NR1H2 (0.43) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL9918094 0.84 NR1H2 (0.42) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL20392577 0.82 SLC34A1 (0.42) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL18493673 0.82 SLC34A1 (0.42) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL23372979 0.81 NR1H2 (0.40) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL17561650 0.81 SLC34A1 (0.49) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL9899605 0.80 KDM4E (0.32) MAPTNAMPT
SCHEMBL20364274 0.79 NR1H2 (0.46) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL7988322 0.78 ESR2 (0.47) NR1H2MAPTESR2SLC34A1HPGDS
SCHEMBL7986367 0.78 ESR2 (0.47) NR1H2MAPTESR2SLC34A1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473047-B1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2014-08-13 EP disclosed
US-8455533-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455533-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20120149734-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149734-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
WO-2011028455-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-03-10 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 (1 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-20120149734-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 NR1H2 3087/4885MAPT 3061/4885ESR2 3402/4885

“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.