SCHEMBL12398830

SCHEMBL12398830

CC(NC(=O)C(N)C(C)C)C(=O)NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.67
▸ DPP8 Q6V1X1 8/20 0.67
▸ DPP9 Q86TI2 2/20 0.67
▸ DPP7 Q9UHL4 2/20 0.67
▸ ACE P12821 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ FAP Q12884 1/20 0.67

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
Hydrochloric Acid SCHEMBL2162357 0.99 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL2552815 0.97 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL15006544 0.96 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
SCHEMBL16704734 0.92 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
SCHEMBL16704384 0.91 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL12285786 0.91 DPP4 (0.70) DPP4DPP8DPP9DPP7ACE
SCHEMBL14985830 0.91 DPP4 (0.70) DPP4DPP8DPP9DPP7ACE
SCHEMBL571980 0.90 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
SCHEMBL10057575 0.90 DPP4 (0.73) DPP4DPP8DPP9DPP7ACE
SCHEMBL10057897 0.90 DPP4 (0.68) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343973-B1 Prodrugs of Sitagliptin CADILA PHARMACEUTICALS LTD (IN) 2016-02-17 — — EP disclosed
US-20140045771-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS Cadila Corporated Campus (IN) 2014-02-13 — — US disclosed
US-20140045771-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS Cadila Corporated Campus (IN) 2014-02-13 — — US disclosed
US-8563517-B2 Dipeptidyl peptidase IV (DP-IV) compounds CADILA PHARMACEUTICALS LIMITED (IN) 2013-10-22 — — US disclosed
US-8563517-B2 Dipeptidyl peptidase IV (DP-IV) compounds CADILA PHARMACEUTICALS LIMITED (IN) 2013-10-22 — — US disclosed
US-20110183919-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS CADILA PHARMACEUTICALS LTD. (IN) 2011-07-28 — — US disclosed
US-20110183919-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS CADILA PHARMACEUTICALS LTD. (IN) 2011-07-28 — — 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-20140045771-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 4/4885
US-20110183919-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 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.

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