SCHEMBL9991047

SCHEMBL9991047

O=C(CC(Cc1cc(F)c(F)cc1F)[N+](=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.73
▸ DPP8 Q6V1X1 8/20 0.73
▸ DPP9 Q86TI2 3/20 0.73
▸ DPP7 Q9UHL4 2/20 0.73
▸ ACE P12821 1/20 0.73
▸ HTR2A P28223 1/20 0.73
▸ FAP Q12884 1/20 0.73

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
SCHEMBL9991052 1.00 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
SCHEMBL14960664 1.00 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL9899956 0.87 DPP4 (0.89) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL9904189 0.86 DPP4 (0.88) DPP4DPP8DPP9DPP7ACE
SCHEMBL3791188 0.85 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE
SCHEMBL1289158 0.85 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE
SCHEMBL1288978 0.85 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1289311 0.85 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 0.85 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL12257160 0.85 DPP4 (0.79) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576563-B1 A NOVEL SYNTHETIC APPROACH TO ß-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS (SI) 2016-05-11 — — EP disclosed
EP-2576563-B1 A NOVEL SYNTHETIC APPROACH TO ß-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS (SI) 2016-05-11 — — EP disclosed
US-8765668-B2 Methods of synthesis of β-aminobutyryl substituted compounds LEK PHARMACEUTICALS D.D. (SI) 2014-07-01 — — US disclosed
US-8765668-B2 Methods of synthesis of β-aminobutyryl substituted compounds LEK PHARMACEUTICALS D.D. (SI) 2014-07-01 — — US disclosed
US-8765668-B2 Methods of synthesis of β-aminobutyryl substituted compounds LEK PHARMACEUTICALS D.D. (SI) 2014-07-01 — — US disclosed
US-20130130974-A1 NOVEL SYNTHETIC APPROACH TO beta-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2013-05-23 — — US disclosed
US-20130130974-A1 NOVEL SYNTHETIC APPROACH TO beta-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2013-05-23 — — US disclosed
US-20130130974-A1 NOVEL SYNTHETIC APPROACH TO beta-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2013-05-23 — — US disclosed
EP-2576563-A1 A NOVEL SYNTHETIC APPROACH TO ß-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK Pharmaceuticals d.d. (SI) 2013-04-10 — — EP disclosed
WO-2011151443-A1 A NOVEL SYNTHETIC APPROACH TO ß-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2011-12-08 — — WO disclosed
WO-2011151443-A1 A NOVEL SYNTHETIC APPROACH TO ß-AMINOBUTYRYL SUBSTITUTED COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2011-12-08 — — WO disclosed
EP-2392575-A1 A novel synthetic approach to ß-aminobutyryl substituted compounds LEK Pharmaceuticals d.d. (SI) 2011-12-07 — — EP disclosed
EP-2392575-A1 A novel synthetic approach to ß-aminobutyryl substituted compounds LEK Pharmaceuticals d.d. (SI) 2011-12-07 — — 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 (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-20130130974-A1 NOVEL SYNTHETIC APPROACH TO beta-AMINOBUTYRYL SUBSTITUTED COMPOUNDS BCAT1, BCAT2, DDC DPP4 153/4885DPP8 208/4885DPP9 440/4885

“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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