SCHEMBL1289241

SCHEMBL1289241

O=C(CCN1CCn2c(nnc2C(F)(F)F)C1)C(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.47
▸ DPP8 Q6V1X1 7/20 0.47
▸ DPP9 Q86TI2 2/20 0.47
▸ DPP7 Q9UHL4 2/20 0.47
▸ ACE P12821 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ FAP Q12884 1/20 0.47
▸ AMY1A P0DUB6 1/20 0.45
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL29644108 0.81 DPP4 (0.54) DPP4DPP8DPP9DPP7ACE
SCHEMBL14921971 0.81 DPP4 (0.52) DPP4DPP8DPP9DPP7ACE
Phosphoric Acid SCHEMBL15024109 0.77 DPP4 (0.54) DPP4DPP8DPP9DPP7ACE
SCHEMBL1289271 0.72 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL14922003 0.72 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL30970560 0.71 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL28030532 0.71 DPP4 (0.60) DPP4DPP8DPP9DPP7ACE
SCHEMBL3697380 0.70 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL5138244 0.70 DPP4 (0.47) DPP4DPP8DPP9DPP7ACE
SCHEMBL15206677 0.70 DPP4 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289276-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC CONVERSION CADILA HEALTHCARE LIMITED (IN) 2013-10-31 — — US disclosed
EP-2625179-A2 PROCESS FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC CONVERSION Cadila Healthcare Limited (IN) 2013-08-14 — — EP disclosed
WO-2013065066-A1 PROCESSES FOR PREPARING 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6- DIHYDRO [L,2,41-TRIAZOLO[43-A]PYRAZIN-7(8H)-YL]-L-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE CADILA HEALTHCARE LIMITED (IN) 2013-05-10 — — WO disclosed
WO-2012046254-A2 PROCESS FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC CONVERSION CADILA HEALTHCARE LIMITED (IN) 2012-04-12 — — WO 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 (1 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-20130289276-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC CONVERSION DPP4, DPP7, DPP9 DPP4 1/4885DPP8 7/4885DPP9 3/4885

“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.

Send feedback