SCHEMBL12440428

SCHEMBL12440428

CC(C)(C)OC(=O)N1CCC[C@H](c2nc(CC(=O)O)cs2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.47
TRPV3 Q8NET8 2/20 0.44
HPGDS O60760 1/20 0.43
PRMT5 O14744 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
FEN1 P39748 1/20 0.41
ACKR3 P25106 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP30 Q70CQ3 4/20 0.40
GLS O94925 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
SCHEMBL12440418 1.00 GPR119 (0.47) GPR119TRPV3HPGDSPRMT5ALDH1A1
SCHEMBL1118269 0.88 GPR119 (0.47) GPR119TRPV3HPGDSPRMT5ALDH1A1
SCHEMBL12440438 0.88 GPR119 (0.58) GPR119HPGDSMEN1MAPTKMT2A
SCHEMBL12440420 0.88 ALDH1A1 (0.49) GPR119TRPV3ALDH1A1MEN1KMT2A
SCHEMBL28230821 0.84 GPR119 (0.53) GPR119TRPV3HPGDSMAPTKDM4E
SCHEMBL3436245 0.84 HPGDS (0.45) GPR119TRPV3HPGDSPRMT5ALDH1A1
SCHEMBL1118237 0.83 GPR119 (0.52) GPR119TRPV3HPGDSMAPTJAK2
SCHEMBL30926340 0.80 GPR119 (0.56) GPR119TRPV3ALDH1A1MAPTACKR3
SCHEMBL12003104 0.79 NR1H2 (0.49) GPR119TRPV3HPGDSALDH1A1MEN1
SCHEMBL18765278 0.78 GPR119 (0.45) GPR119TRPV3HPGDSMEN1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
WO-2007140117-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-12-06 WO disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US 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 (2 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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 GPR119 4507/4885TRPV3 37/4885HPGDS 141/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 GPR119 4535/4885TRPV3 37/4885HPGDS 144/4885

“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.