SCHEMBL6890067

SCHEMBL6890067

CC(C)n1nc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 20/20 0.81
KCNH2 Q12809 20/20 0.81
SSTR1 P30872 2/20 0.60
SSTR5 P35346 2/20 0.60
TACR2 P21452 1/20 0.60
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
SSTR4 P31391 1/20 0.56

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
SCHEMBL9909898 0.93 SSTR3 (0.70) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL901932 0.92 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL6890516 0.90 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12686378 0.87 SSTR3 (0.69) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL23777544 0.86 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13244746 0.86 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9928528 0.86 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9909895 0.85 SSTR3 (0.68) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13244646 0.85 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL3020005 0.85 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5TACR2

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
EP-2676960-B1 Combination drugs comprising aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME (US) 2017-04-19 EP disclosed
EP-2676961-B1 Combination drugs comprising aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME (US) 2017-04-19 EP disclosed
EP-2760855-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AS WELL AS THEIR USE IN TREATING TYPE-2 DIABETES MERCK SHARP & DOHME (US) 2017-03-15 EP 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
US-9422266-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-08-23 US disclosed
US-9403790-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2016-08-02 US 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-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2016-05-19 US disclosed
US-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2016-05-19 US disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011037771-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MERCK SHARP & DOHME CORP. (US) 2011-03-31 WO disclosed
WO-2011037793-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-03-31 WO 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
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
WO-2010083136-A1 OXADIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-07-22 WO 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
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 WO disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 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-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 SSTR3 590/4885KCNH2 2400/4885SSTR1 1728/4885

“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.