SCHEMBL8079018

SCHEMBL8079018

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
PREP P48147 4/20 0.41
AAK1 Q2M2I8 3/20 0.37
KAT2B Q92831 1/20 0.36
ELANE P08246 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
HSD11B1 P28845 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
BTK Q06187 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL3744310 0.88 CHRM2 (0.55) CHRM1CHRM2CHRM3PREPAAK1
SCHEMBL894936 0.86 CHRM2 (0.38) CHRM1CHRM2CHRM3PREPAAK1
SCHEMBL10026719 0.86 CHRM2 (0.38) CHRM1CHRM2CHRM3PREPAAK1
SCHEMBL3806247 0.84 BTK (0.39) CHRM1CHRM2CHRM3PREPAAK1
SCHEMBL21201991 0.83 AAK1 (0.47) AAK1CA12CA14BTK
SCHEMBL14831258 0.83 AAK1 (0.47) AAK1CA12CA14BTK
SCHEMBL14831257 0.83 AAK1 (0.47) AAK1CA12CA14BTK
SCHEMBL3744365 0.83 CTSL (0.50)
SCHEMBL3748764 0.83 CTSL (0.50)
SCHEMBL3743376 0.82 KMT2A (0.38) CHRM1CHRM2CHRM3AAK1ELANE

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 3 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-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 CHRM1 4371/4885CHRM2 4174/4885CHRM3 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.