SCHEMBL9899605

SCHEMBL9899605

NC(=O)Cn1ncc2c1CN(C(=O)O)C2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
USP7 Q93009 2/20 0.31
NAMPT P43490 1/20 0.31
ELANE P08246 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL6891275 0.80 NR1H2 (0.41) MAPTNAMPT
SCHEMBL17205525 0.75 PDK2 (0.40) NAMPTPDK2
SCHEMBL28877850 0.72 NAMPT (0.46) NAMPTELANEPDK2
SCHEMBL9898357 0.72 LMNA (0.33) KDM4EMAPTHSD17B10TDP1L3MBTL1
SCHEMBL2364148 0.70 HTT (0.44) GAA
SCHEMBL15152857 0.69 PDK2 (0.43) MAPTNAMPTPDK2
SCHEMBL28717233 0.68 USP7 (0.45) USP7PDK2
SCHEMBL15524703 0.68 NAMPT (0.38) NAMPTPDK2
SCHEMBL29079136 0.68 PDK2 (0.38) PDK2
SCHEMBL28948219 0.67 PDK2 (0.45) PDK2

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 3 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-20120149734-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US 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 KDM4E 1248/4885MAPT 3061/4885HSD17B10 519/4885

“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.