SCHEMBL3697380

SCHEMBL3697380

N[C@@H](CCN1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.65
▸ DPP8 Q6V1X1 11/20 0.64
▸ DPP9 Q86TI2 5/20 0.64
▸ DPP7 Q9UHL4 5/20 0.64
▸ ACE P12821 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ FAP Q12884 1/20 0.64

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
SCHEMBL15206677 1.00 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL16433580 0.92 DPP4 (0.55) DPP4DPP8DPP9DPP7ACE
SCHEMBL14922003 0.87 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL1289271 0.87 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL3254241 0.81 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE
SCHEMBL3254233 0.81 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE
SCHEMBL5138244 0.79 DPP4 (0.47) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL174489 0.78 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 0.78 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL19520418 0.78 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119082225-A Sitagliptin Process for the preparation of intermediates 浙江赞源生物技术有限公司 2024-12-06 — — CN disclosed
US-9181256-B2 Salts of sitagliptin, process for the preparation and pharmaceutical composition therefore LAURUS LABS PRIVATE LTD. (IN) 2015-11-10 — — US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
US-20140073791-A1 NOVEL SALTS OF SITAGLIPTIN, PROCESS FOR THE PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2014-03-13 — — US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 — — US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 — — US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 — — US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 — — WO disclosed
US-20100144613-A1 Combined use of DPP-IV Inhibitors and Gastrin Compounds WARATAH PHARMACEUTICALS, INC. (CA) 2010-06-10 — — US disclosed
US-20090054314-A1 Combined use of DPP-IV inhibitors and gastrin compounds WARATAH PHARMACEUTICALS INC. (CA) 2009-02-26 — — 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-20140073791-A1 NOVEL SALTS OF SITAGLIPTIN, PROCESS FOR THE PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF DPP4, DPP9, DPP3 DPP4 1/4885DPP8 5/4885DPP9 2/4885
US-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 DPP4 903/4885DPP8 2327/4885DPP9 1363/4885

“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.

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