SCHEMBL2364142

SCHEMBL2364142

O=C(O)N1Cc2cn(S(=O)(=O)C3CCCC3)nc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.41
DPP7 Q9UHL4 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
USP9X Q93008 3/20 0.36
KCNH2 Q12809 2/20 0.35
SLC6A9 P48067 1/20 0.33
NAMPT P43490 2/20 0.33
CYP2C9 P11712 1/20 0.33
DPP9 Q86TI2 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KEAP1 Q14145 1/20 0.31
GRM5 P41594 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
SCHEMBL20483601 0.94 DPP4 (0.40) DPP4DPP7DPP8USP9XKCNH2
SCHEMBL20483907 0.83 USP9X (0.38) DPP4DPP7DPP8USP9XKCNH2
SCHEMBL826919 0.81 NAMPT (0.39) DPP4DPP7DPP8SLC6A9NAMPT
SCHEMBL15524327 0.80 KDM1A (0.39) DPP4USP9XKCNH2
SCHEMBL18760087 0.77 USP9X (0.38) DPP4USP9XSLC6A9
SCHEMBL823793 0.76 HDAC1 (0.41) DPP4NAMPT
SCHEMBL17202602 0.75 SLC6A9 (0.45) DPP4DPP7DPP8KCNH2SLC6A9
SCHEMBL15161213 0.73 DPP4 (0.43) DPP4DPP7DPP8KCNH2
SCHEMBL28044985 0.73 USP9X (0.35) USP9XKCNH2SLC6A9NAMPT
SCHEMBL827181 0.72 DPP4 (0.41) DPP4DPP7DPP8KCNH2NAMPT

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
US-10065962-B2 Amino pryan ring derivative and composition and use thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD (CN) 2018-09-04 US disclosed
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
US-8716482-B2 Substituted aminopiperidines as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-06 US 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-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-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
EP-2358717-A1 Aminotetrahydropyrans as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010056708-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2010-05-20 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 (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-10065962-B2 Amino pryan ring derivative and composition and use thereof DPP4, DPP8, DPP3 DPP4 1/4885DPP7 5/4885DPP8 2/4885
US-20130203786-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885DPP8 4/4885
US-20120277240-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 7/4885

“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.