SCHEMBL3755810

SCHEMBL3755810

CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H](C(N)=O)C[C@@H]2C[C@@H]21)C1CC2CCC(C1)N2C(=O)c1ccnc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
MGLL Q99685 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
CFD P00746 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
ACACB O00763 1/20 0.30
ELANE P08246 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL8080997 0.90 PREP (0.35) PREPFAPAAK1MGLLTAS1R3
SCHEMBL3744735 0.87 DPP4 (0.42)
SCHEMBL3738692 0.85 MGLL (0.34) PREPFAPAAK1MGLLTAS1R3
SCHEMBL8083242 0.85 MGLL (0.34) PREPFAPAAK1MGLLTAS1R3
SCHEMBL3738226 0.84 MGLL (0.39) PREPFAPAAK1MGLLTAS1R3
SCHEMBL3736510 0.84 MGLL (0.39) PREPFAPAAK1MGLLTAS1R3
SCHEMBL3748577 0.83 MGLL (0.38) PREPFAPAAK1MGLLTAS1R3
SCHEMBL3738734 0.83 BCL2 (0.38) AAK1
SCHEMBL3744329 0.79 DPP4 (0.38) PREPFAPAAK1MGLLTAS1R3
SCHEMBL13078895 0.79 DPP4 (0.38) PREPFAPAAK1MGLLTAS1R3

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 PREP 32/4885FAP 26/4885AAK1 1507/4885

“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.