SCHEMBL9899683

SCHEMBL9899683

CC(C)(C)OC(=O)N1Cc2cn(COCC[Si](C)(C)C)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
HDAC1 Q13547 1/20 0.36
NR1H2 P55055 2/20 0.36
SLC34A1 Q06495 1/20 0.36
ESR2 Q92731 1/20 0.36
MTOR P42345 3/20 0.35
MAPK1 P28482 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PIK3CA P42336 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KLKB1 P03952 1/20 0.33
C5AR1 P21730 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9899299 0.84 HDAC1 (0.35) HDAC1ALDH1A1KLKB1SMN1; SMN2
SCHEMBL31460333 0.82 HDAC1 (0.41) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL20738563 0.82 HDAC1 (0.41) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL23372983 0.80 HDAC1 (0.46) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL9918101 0.80 HDAC1 (0.40) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL28036918 0.80 HDAC1 (0.40) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL20392575 0.79 HDAC1 (0.43) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL12451984 0.79 HDAC1 (0.39) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL6893628 0.79 NR1H2 (0.40) NAMPTHDAC1NR1H2SLC34A1ESR2
SCHEMBL28037333 0.79 NR1H2 (0.40) NAMPTHDAC1NR1H2SLC34A1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155775-B2 Substituted amino six-membered saturated heteroalicycles as long-acting DPP-IV inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-12-18 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
EP-3257857-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR Centaurus BioPharma Co., Ltd. (CN) 2017-12-20 EP disclosed
EP-3257857-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR Centaurus BioPharma Co., Ltd. (CN) 2017-12-20 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
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
WO-2016127916-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR 北京赛林泰医药技术有限公司 2016-08-18 WO 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-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-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-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-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
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-2011146358-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO 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 (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-20120149734-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 NAMPT 801/4885HDAC1 2431/4885NR1H2 3087/4885
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS DPP4, DPP7, DPP9 NAMPT 1913/4885HDAC1 1461/4885NR1H2 3612/4885
US-20120277240-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 NAMPT 1175/4885HDAC1 2273/4885NR1H2 2030/4885
US-10155775-B2 Substituted amino six-membered saturated heteroalicycles as long-acting DPP-IV inhibitors DPP4, DPP7, DPP9 NAMPT 1913/4885HDAC1 1461/4885NR1H2 3612/4885

“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.