SCHEMBL3744329

SCHEMBL3744329

C#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)c1ccnc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.38
MGLL Q99685 1/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
KDM1A O60341 2/20 0.34
GPR119 Q8TDV5 2/20 0.32
AAK1 Q2M2I8 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
DPP9 Q86TI2 1/20 0.32
TRPA1 O75762 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL13078895 1.00 DPP4 (0.38) DPP4MGLLPREPFAPDPP8
SCHEMBL3738692 0.89 MGLL (0.34) MGLLPREPFAPKDM1AAAK1
SCHEMBL8083242 0.89 MGLL (0.34) MGLLPREPFAPKDM1AAAK1
SCHEMBL3744735 0.88 DPP4 (0.42) DPP4
SCHEMBL13078897 0.85 ELOVL6 (0.42) DPP4MGLLDPP8AAK1
SCHEMBL3744361 0.85 ELOVL6 (0.42) DPP4MGLLDPP8AAK1
SCHEMBL3738226 0.83 MGLL (0.39) MGLLPREPFAPGPR119AAK1
SCHEMBL3736510 0.83 MGLL (0.39) MGLLPREPFAPGPR119AAK1
SCHEMBL3748577 0.83 MGLL (0.38) MGLLPREPFAPGPR119AAK1
SCHEMBL8092647 0.82 DPP4 (0.51) DPP4MGLLDPP8KDM1A

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-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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 (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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885MGLL 1847/4885PREP 32/4885

“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.