SCHEMBL4923232

SCHEMBL4923232

CC(C)(C)OC(=O)NC1(c2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
ADORA2A P29274 1/20 0.45
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
MAPK1 P28482 3/20 0.40
GRM4 Q14833 1/20 0.38
EPHX2 P34913 1/20 0.38
DPP4 P27487 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
VNN1 O95497 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMO Q99835 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
KIT P10721 1/20 0.37
KIF11 P52732 1/20 0.36

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
SCHEMBL2390889 0.95 AKT1 (0.42) AKT1ADORA2AOPRM1OPRL1MAPK1
SCHEMBL25195160 0.91 AKT1 (0.40) AKT1ADORA2AOPRM1OPRL1MAPK1
SCHEMBL25099267 0.91 VNN1 (0.42) AKT1ADORA2AOPRM1OPRL1MAPK1
SCHEMBL23136323 0.89 AKT1 (0.42) AKT1ADORA2AOPRM1OPRL1MAPK1
SCHEMBL2397079 0.86 AKT1 (0.40) AKT1ADORA2AOPRM1OPRL1MAPK1
SCHEMBL2394242 0.85 KDM4E (0.43) AKT1ADORA2AOPRM1OPRL1MAPK1
SCHEMBL5874035 0.84 GPR119 (0.45) AKT1MAPK1GPR119VNN1
SCHEMBL2392208 0.82 AKT1 (0.44) AKT1MAPK1EPHX2GPR119VNN1
SCHEMBL2140464 0.82 AKT1 (0.43) AKT1EPHX2MEN1NPC1GAA
SCHEMBL2142214 0.82 GPR119 (0.39) AKT1EPHX2GPR119RAB9AKIT

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-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 AKT1 1460/4885ADORA2A 1370/4885OPRM1 51/4885

“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.