SCHEMBL3453798

SCHEMBL3453798

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nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.50
KCNH2 Q12809 1/20 0.38
SLC7A5 Q01650 1/20 0.37
DPP7 Q9UHL4 5/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A4 P08684 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL21924972 1.00 DPP4 (0.50) DPP4KCNH2SLC7A5DPP7DPP8
SCHEMBL28055243 0.83 DPP4 (0.49) DPP4KCNH2SLC7A5DPP7DPP8
SCHEMBL27899116 0.83 DPP4 (0.49) DPP4KCNH2SLC7A5DPP7DPP8
SCHEMBL4002665 0.83 CTSS (0.48) DPP4SLC7A5
SCHEMBL11221173 0.83 DPP4 (0.49) DPP4KCNH2SLC7A5DPP7DPP8
SCHEMBL1519636 0.82 SLC7A5 (0.43) DPP4SLC7A5DPP7DPP8CYP2D6
SCHEMBL28304222 0.81 DPP4 (0.51) DPP4KCNH2DPP7DPP8DPP9
SCHEMBL1519830 0.77 CTSS (0.46) SLC7A5
SCHEMBL2897783 0.75 IDO1 (0.44) CYP3A4
SCHEMBL1521462 0.75 IDO1 (0.44) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107286164-B Application of compound in preparation of sitagliptin and method for preparing sitagliptin 武汉臻智生物科技有限公司 2021-08-03 CN claimed
CN-116554060-B Preparation method of Boc- (R) -3-amino-4- (2, 4, 5-trifluorophenyl) butyric acid 江苏八巨药业有限公司 2024-11-15 CN disclosed
CN-116554060-A Preparation method of Boc- (R) -3-amino-4- (2, 4, 5-trifluorophenyl) butyric acid 江苏八巨药业有限公司 2023-08-08 CN disclosed
CN-107286164-B Application of compound in preparation of sitagliptin and method for preparing sitagliptin 武汉臻智生物科技有限公司 2021-08-03 CN disclosed
CN-107286164-A Purposes of the compound in sitagliptin is prepared and the method for preparing sitagliptin 武汉臻智生物科技有限公司 2017-10-24 CN disclosed
US-7820666-B2 Tetrahydrotriazolopyrazine derivatives and uses thereof CONCERT PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-20080280913-A1 TETRAHYDROTRIAZOLOPYRAZINE DERIVATIVES AND USES THEREOF CONCERT PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 DPP4 2/4885KCNH2 880/4885SLC7A5 776/4885
US-20080280913-A1 TETRAHYDROTRIAZOLOPYRAZINE DERIVATIVES AND USES THEREOF DPP4, DPP3, DPP7 DPP4 1/4885KCNH2 1903/4885SLC7A5 1643/4885

“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.