SCHEMBL2255167

SCHEMBL2255167

CC(C)(C)OC(=O)Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccncc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.45
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PRKDC P78527 1/20 0.43
CYP3A4 P08684 6/20 0.42
LYN P07948 1/20 0.41
BLK P51451 1/20 0.41
CYP2D6 P10635 4/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL19972696 0.85 GPR119 (0.49) GPR119PIK3CAMTORPRKDCLYN
SCHEMBL2251051 0.82 GPR119 (0.46) GPR119PIK3CAMTORPRKDC
SCHEMBL22043738 0.80 GPR119 (0.45) GPR119PIK3CAMTORPRKDCLYN
SCHEMBL8111309 0.79 ALDH1A1 (0.57)
SCHEMBL19972609 0.79 BLK (0.54) GPR119LYNBLKBTK
SCHEMBL8103415 0.79 OPRL1 (0.53) GPR119
SCHEMBL20598891 0.78 CYP3A4 (0.41) GPR119CYP3A4CYP2D6BTK
SCHEMBL2247700 0.76 CCR5 (0.51) GPR119CYP3A4
SCHEMBL12357645 0.75 ALDH1A1 (0.49) GPR119PIK3CAMTORPRKDC
SCHEMBL2250127 0.75 ALDH1A1 (0.47) GPR119PIK3CAMTORPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
WO-2010045276-A2 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2010-04-22 WO disclosed
WO-2010045276-A2 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2010-04-22 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-20110190336-A1 AZABENZIMIDAZOLONES PTGER1, PTGDR, PTGER2 GPR119 569/4885PIK3CA 2616/4885MTOR 3090/4885

“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.