SCHEMBL3366010

SCHEMBL3366010

CC(=O)OC12CC3CC(CC(N)(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
PKM P14618 1/20 0.44
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
DPP4 P27487 1/20 0.39
THRB P10828 3/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
STAT6 P42226 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
Hydrochloric Acid SCHEMBL27804946 0.98 POLB (0.44) POLBPKMGRIN2DGRIN3BGRIN1
SCHEMBL5608309 0.87 DPP4 (0.43) DPP4THRBTSHRNAAADYRK3
SCHEMBL5179241 0.84 POLB (0.50) POLBPKMGRIN2DGRIN3BGRIN1
SCHEMBL12205975 0.83 POLB (0.41) POLBPKMGRIN2DGRIN3BGRIN1
SCHEMBL5608432 0.83 GRIN2D (0.43) POLBPKMGRIN2DGRIN3BGRIN1
SCHEMBL5608146 0.81 POLB (0.41) POLBPKMGRIN2DGRIN3BGRIN1
SCHEMBL5608131 0.80 TSHR (0.44) DPP4THRBTSHRNAAADYRK3
SCHEMBL5607853 0.80 PKM (0.41) PKMDPP4THRBDPP8DPP9
SCHEMBL19608893 0.80 DPP4 (0.40) POLBDPP4THRBTSHRNAAA
SCHEMBL25142188 0.79 GRIN2D (0.44) POLBPKMGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108503571-B Synthetic method of vildagliptin 无锡科华生物科技有限公司 2020-07-14 CN disclosed
CN-108503571-B Synthetic method of vildagliptin 无锡科华生物科技有限公司 2020-07-14 CN disclosed
CN-108658826-B Method for preparing vildagliptin 上海三牧化工技术有限公司 2020-05-12 CN disclosed
CN-108658826-B Method for preparing vildagliptin 上海三牧化工技术有限公司 2020-05-12 CN disclosed
CN-107793341-A A kind of preparation method of vildagliptin intermediate 江苏天士力帝益药业有限公司 2018-03-13 CN disclosed
US-8569250-B2 Organic compounds NOVARTIS AG (CH) 2013-10-29 US disclosed
EP-2247602-B1 ADAMANTYL O-GLUCURONIDE DERIVATIVES AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES NOVARTIS AG (CH) 2013-04-03 EP disclosed
US-20120295860-A1 ORGANIC COMPOUNDS HASSIEPEN ULRICH (DE) 2012-11-22 US disclosed
US-8252751-B2 Organic compounds NOVARTIS AG (CH) 2012-08-28 US disclosed
EP-2247602-A2 ADAMANTYL O-GLUCURONIDE DERIVATIVES AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES Novartis AG (CH) 2010-11-10 EP disclosed
US-20100256080-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-07 US disclosed
CN-101747221-A Method for preparing amino adamantane carboxylic acid compounds UNIV GUANGDONG TECHNOLOGY 2010-06-23 CN disclosed
WO-2009068531-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-04 WO disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
EP-1137635-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2005-10-19 EP disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-1137635-A1 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 2001-10-04 EP disclosed
US-6166063-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-12-26 US disclosed
WO-2000034241-A1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2000-06-15 WO disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP 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 (2 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-20100256080-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 POLB 2799/4885PKM 1814/4885GRIN2D 3421/4885
US-20120295860-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 POLB 2828/4885PKM 1830/4885GRIN2D 3406/4885

“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.