SCHEMBL9928536

SCHEMBL9928536

COc1ccc(Cn2c(Cl)nc3ncn(COCC[Si](C)(C)C)c3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TRPA1 O75762 1/20 0.38
MET P08581 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
CASP7 P55210 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL9928535 0.84 KDM4E (0.41) METALDH1A1POLBMAPTALOX12
SCHEMBL16976838 0.78 GRIN1 (0.46) GAAADORA3TRPA1METALDH1A1
SCHEMBL9905309 0.76 GAA (0.46) GAAADORA3TRPA1METALDH1A1
SCHEMBL1573111 0.73 PDE5A (0.51) GAAADORA3TRPA1METALDH1A1
SCHEMBL9905400 0.71 GAA (0.47) GAAADORA3ALDH1A1POLBMAPT
SCHEMBL24224456 0.71 DGAT1 (0.33) DGAT1CYP1A2
SCHEMBL9928488 0.70 DGAT1 (0.36) MAPTDGAT1
SCHEMBL31138390 0.70 DGAT1 (0.36) MAPTDGAT1
SCHEMBL7437138 0.70 SMN1; SMN2 (0.51) GAAALDH1A1POLBHPGDMEN1
SCHEMBL15293654 0.70 PCSK9 (0.47) ALDH1A1POLBMAPTALOX12NPSR1

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
EP-2648517-B1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2015-08-05 EP disclosed
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. 2013-10-03 US disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 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-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 GAA 87/4885ADORA3 2316/4885TRPA1 3825/4885

“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.