SCHEMBL12440438

SCHEMBL12440438

CC(C)(C)OC(=O)N1CCC(c2nc(CC(=O)O)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.58
F2RL3 Q96RI0 1/20 0.45
THRB P10828 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACKR3 P25106 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FAAH O00519 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL3144261 0.90 GPR119 (0.60) GPR119F2RL3THRBKDM4EMAPT
SCHEMBL30926340 0.89 GPR119 (0.56) GPR119F2RL3THRBKDM4EMAPT
SCHEMBL12440428 0.88 GPR119 (0.47) GPR119KDM4EMAPTACKR3MEN1
SCHEMBL12440418 0.88 GPR119 (0.47) GPR119KDM4EMAPTACKR3MEN1
SCHEMBL1269323 0.87 GPR119 (0.58) GPR119F2RL3THRBKDM4EMAPT
SCHEMBL907209 0.87 GPR119 (0.58) GPR119F2RL3THRBKDM4EMAPT
SCHEMBL30926236 0.86 GPR119 (0.58) GPR119F2RL3THRBKDM4EMAPT
SCHEMBL1773896 0.84 GPR119 (0.56) GPR119THRBKDM4EMAPTGAA
SCHEMBL22262887 0.83 GPR119 (0.52) GPR119THRBKDM4EMAPTHPGD
SCHEMBL1118205 0.83 GPR119 (0.72) GPR119F2RL3THRBGAASMN1; 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 6 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
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 4507/4885F2RL3 77/4885THRB 4279/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 GPR119 4535/4885F2RL3 82/4885THRB 4283/4885

“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.