SCHEMBL3738692

SCHEMBL3738692

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
KDM1A O60341 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL8083242 1.00 MGLL (0.34) MGLLPREPFAPAAK1KDM1A
SCHEMBL13078895 0.89 DPP4 (0.38) MGLLPREPFAPAAK1KDM1A
SCHEMBL3744329 0.89 DPP4 (0.38) MGLLPREPFAPAAK1KDM1A
SCHEMBL8080997 0.88 PREP (0.35) MGLLPREPFAPAAK1KDM1A
SCHEMBL3755810 0.85 PREP (0.34) MGLLPREPFAPAAK1KDM1A
SCHEMBL3742876 0.85 ELOVL6 (0.39) MGLLAAK1
SCHEMBL3736510 0.82 MGLL (0.39) MGLLPREPFAPAAK1TAS1R3
SCHEMBL3738226 0.82 MGLL (0.39) MGLLPREPFAPAAK1TAS1R3
SCHEMBL3748577 0.81 MGLL (0.38) MGLLPREPFAPAAK1TAS1R3
SCHEMBL3744735 0.80 DPP4 (0.42)

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 5 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
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 MGLL 1847/4885PREP 32/4885FAP 26/4885

“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.