SCHEMBL3744310

SCHEMBL3744310

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
PREP P48147 3/20 0.41
AAK1 Q2M2I8 3/20 0.38
MMP13 P45452 8/20 0.38
ELANE P08246 1/20 0.36
MMP1 P03956 4/20 0.36
MMP3 P08254 3/20 0.36
MMP7 P09237 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36
MMP2 P08253 2/20 0.36
HSD11B1 P28845 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
BTK Q06187 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8079018 0.88 CHRM1 (0.54) CHRM2CHRM1CHRM3PREPAAK1
SCHEMBL13078885 0.88 CHRM2 (0.42) CHRM2CHRM1CHRM3PREPAAK1
SCHEMBL895624 0.86 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPAAK1
SCHEMBL10026720 0.86 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPAAK1
SCHEMBL3751248 0.84 BTK (0.40) CHRM2CHRM1CHRM3PREPAAK1
SCHEMBL1349093 0.83 AAK1 (0.48) AAK1CTSSCTSKBTKKMT2A
SCHEMBL1349095 0.83 AAK1 (0.48) AAK1CTSSCTSKBTKKMT2A
SCHEMBL1273387 0.83 AAK1 (0.48) AAK1CTSSCTSKBTKKMT2A
SCHEMBL11902313 0.83 CTSL (0.51) CTSSKMT2A
SCHEMBL6880634 0.83 CTSL (0.51) CTSSKMT2A

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 9 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 claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
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-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
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 CHRM2 4174/4885CHRM1 4371/4885CHRM3 4029/4885

“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.