SCHEMBL21985109

SCHEMBL21985109

NC(CC(=O)N1CCNCC1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.88
DPP8 Q6V1X1 1/20 0.66
DPP7 Q9UHL4 1/20 0.66
CYP3A4 P08684 4/20 0.65
DPP9 Q86TI2 3/20 0.63

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
SCHEMBL21985110 1.00 DPP4 (0.88) DPP4DPP8DPP7CYP3A4DPP9
SCHEMBL24244598 0.88 DPP4 (0.79) DPP4DPP8DPP7CYP3A4DPP9
SCHEMBL28434489 0.88 DPP4 (0.79) DPP4DPP8DPP7CYP3A4DPP9
SCHEMBL25840236 0.86 DPP4 (0.77) DPP4DPP8DPP7CYP3A4DPP9
SCHEMBL4699518 0.85 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL4699986 0.85 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL21985114 0.84 DPP4 (0.84) DPP4DPP7CYP3A4DPP9
SCHEMBL21985108 0.84 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL29142108 0.84 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL21985104 0.84 DPP4 (0.68) DPP4DPP7CYP3A4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459549-B2 Method for biocatalytic synthesis of Sitagliptin and intermediate thereof CHINA FORTUNE WAY COMPANY (CN) 2022-10-04 US disclosed
US-20210123080-A1 METHOD FOR BIOCATALYTIC SYNTHESIS OF SITAGLIPTIN AND INTERMEDIATE THEREOF CHINA FORTUNE WAY COMPANY (CN) 2021-04-29 US disclosed
EP-3650537-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE Abiochem Biotechnology Co., Ltd. (CN) 2020-05-13 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-20210123080-A1 METHOD FOR BIOCATALYTIC SYNTHESIS OF SITAGLIPTIN AND INTERMEDIATE THEREOF DPP4, SI, DPP9 DPP4 1/4885DPP8 12/4885DPP7 4/4885
US-11459549-B2 Method for biocatalytic synthesis of Sitagliptin and intermediate thereof DPP4, SI, DPP9 DPP4 1/4885DPP8 12/4885DPP7 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.