SCHEMBL21853403

SCHEMBL21853403

C[C@@H]1c2cnc(C(F)(F)F)n2CCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.74
DPP8 Q6V1X1 11/20 0.73
DPP7 Q9UHL4 8/20 0.64
DPP9 Q86TI2 6/20 0.60

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
SCHEMBL10195795 1.00 DPP4 (0.74) DPP4DPP8DPP7DPP9
Phosphoric Acid SCHEMBL29041092 0.96 DPP4 (0.68) DPP4DPP8DPP7DPP9
Phosphoric Acid SCHEMBL30040047 0.96 DPP4 (0.68) DPP4DPP8DPP7DPP9
SCHEMBL28706530 0.87 DPP4 (0.56) DPP4DPP8DPP7DPP9
SCHEMBL29040979 0.85 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL29040977 0.85 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL28698252 0.85 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL5491159 0.85 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL28710941 0.82 DPP4 (0.51) DPP4DPP8DPP7DPP9
SCHEMBL28711236 0.82 DPP4 (0.51) DPP4DPP8DPP7DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057751-B Preparation method of DPP-IV inhibitor and key intermediate thereof 盛世泰科生物医药技术(苏州)有限公司 2022-04-12 CN disclosed
CN-114057751-A Preparation method of DPP-IV inhibitor and key intermediate thereof 盛世泰科生物医药技术(苏州)有限公司 2022-02-18 CN disclosed
US-11046701-B2 Salt of cetagliptin, preparation method thereof, pharmaceutical composition, and use thereof CGENETECH (SUZHOU, CHINA) CO., LTD. (CN) 2021-06-29 US disclosed
EP-3785713-A1 SALT OF CETAGLIPTIN, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CGenetech (Suzhou, China) Co., Ltd. (CN) 2021-03-03 EP disclosed
US-20200123164-A1 SALT OF CETAGLIPTIN, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CGENETECH (SUZHOU, CHINA) CO., LTD. (CN) 2020-04-23 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-11046701-B2 Salt of cetagliptin, preparation method thereof, pharmaceutical composition, and use thereof DPP4, SLC5A1, ALPI DPP4 1/4885DPP8 8/4885DPP7 4/4885
US-20200123164-A1 SALT OF CETAGLIPTIN, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION, AND USE THEREOF DPP4, SLC5A1, ALPI DPP4 1/4885DPP8 8/4885DPP7 4/4885

“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.