SCHEMBL22773261

SCHEMBL22773261

COc1ccc(C(c2ccncc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.49
PDE4B Q07343 5/20 0.48
PDE4A P27815 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
CFTR P13569 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
STS P08842 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
PIK3CD O00329 2/20 0.43

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
SCHEMBL22773259 0.88 GPR119 (0.51) MMP13PDE4BPDE4APDE4CPDE4D
SCHEMBL22491593 0.88 GPR119 (0.51) MMP13PDE4BPDE4APDE4CPDE4D
SCHEMBL22491538 0.86 LMNA (0.50) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL22491428 0.86 LMNA (0.50) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL22773230 0.84 GPR119 (0.49) MMP13PDE4BPDE4APDE4CPDE4D
SCHEMBL29734550 0.84 GPR119 (0.49) MMP13PDE4BPDE4APDE4CPDE4D
SCHEMBL23212010 0.79 GPR119 (0.56) MMP13STSGPR119
SCHEMBL30567962 0.79 GPR119 (0.56) MMP13STSGPR119
SCHEMBL4242463 0.78 GPR119 (0.53) MMP13NPC1ALDH1A1MAPTMAPK1
SCHEMBL6148439 0.77 MMP13 (0.54) MMP13NPC1ALDH1A1MAPTMAPK1

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
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
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY MMP13 4265/4885PDE4B 1803/4885PDE4A 2507/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MMP13 4265/4885PDE4B 1803/4885PDE4A 2507/4885

“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.