SCHEMBL29734550

SCHEMBL29734550

COc1ccc(C(c2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.49
MMP13 P45452 2/20 0.47
CFTR P13569 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PIK3CD O00329 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
STS P08842 1/20 0.43
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL22773230 1.00 GPR119 (0.49) GPR119MMP13CFTRPDE4BPDE4A
SCHEMBL22491592 0.87 KDM4E (0.41) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL22491429 0.87 KDM4E (0.41) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL22773261 0.84 MMP13 (0.49) GPR119MMP13CFTRPDE4BPDE4A
SCHEMBL22491593 0.83 GPR119 (0.51) GPR119MMP13CFTRPDE4BPDE4A
SCHEMBL22773259 0.83 GPR119 (0.51) GPR119MMP13CFTRPDE4BPDE4A
SCHEMBL1328780 0.78 GPR119 (0.60) GPR119MMP13ADORA2AADORA2B
SCHEMBL12128388 0.78 GPR119 (0.56) GPR119MMP13ADORA2AADORA2B
SCHEMBL4517616 0.78 GPR119 (0.52) GPR119MMP13ADORA2AADORA2B
SCHEMBL21381622 0.76 SLC6A4 (0.49) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY GPR119 3037/4885MMP13 4265/4885CFTR 2591/4885

“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.