SCHEMBL2364148

SCHEMBL2364148

NC(=O)Cn1cc2c(n1)CN(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
GAA P10253 1/20 0.43
DPP4 P27487 1/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL16152056 0.81 HTT (0.43) HTTGAADPP4TSHRALDH1A1
SCHEMBL6893628 0.80 NR1H2 (0.40) HTTGAADPP4TSHRALDH1A1
SCHEMBL13563309 0.78 TSHR (0.40) HTTGAADPP4TSHRSMN1; SMN2
SCHEMBL28678787 0.78 HTT (0.37) HTTGAATSHRALDH1A1SMN1; SMN2
SCHEMBL17202438 0.77 DPP4 (0.39) HTTGAADPP4TSHRALDH1A1
SCHEMBL13562716 0.77 DPP4 (0.39) HTTGAADPP4TSHRALDH1A1
SCHEMBL28699199 0.74 HTT (0.40) HTTGAATSHRALDH1A1SMN1; SMN2
SCHEMBL28703394 0.73 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL17202434 0.72 HTT (0.33) HTTGAATSHRALDH1A1SMN1; SMN2
SCHEMBL9899299 0.72 HDAC1 (0.35) HTTGAATSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571876-B1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
EP-2538783-B1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
US-8980929-B2 Substituted seven-membered heterocyclic compounds as dipeptidyl peptidase-iv inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-8853212-B2 Substituted aminotetrahydrothiopyrans and derivatives thereof as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP (US) 2014-10-07 US disclosed
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-20130203786-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2013-08-08 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
EP-2538783-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES Merck Sharp & Dohme Corp. (US) 2013-01-02 EP disclosed
US-20120277240-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. 2012-11-01 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-2011103256-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-08-25 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 (3 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 HTT 2875/4885GAA 193/4885DPP4 1/4885
US-20130203786-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP7, DPP3 HTT 3180/4885GAA 69/4885DPP4 1/4885
US-20120277240-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 HTT 3818/4885GAA 96/4885DPP4 1/4885

“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.