SCHEMBL8089110

SCHEMBL8089110

COC(=O)C[C@H](C1CC2CCC(C1)N2C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
HTR2C P28335 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
AGTR2 P50052 4/20 0.39
TNF P01375 1/20 0.39
CTRB1 P17538 1/20 0.39

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
SCHEMBL8085847 1.00 HTT (0.42) HTTHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL8091030 0.86 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL13078590 0.86 HTT (0.38) HTTHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6882378 0.86 HTT (0.38) HTTHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL3747970 0.85 HTR2C (0.43) HTTHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL13045367 0.85 HTR2C (0.43) HTTHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL8090235 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL13078569 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3738672 0.82 CTRB1 (0.46) HTR2CNPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL8079814 0.82 HTT (0.46) HTTHTR2CNPC1RAB9ASMN1; SMN2

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 HTT 3456/4885HTR2C 2412/4885NPC1 1434/4885

“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.