SCHEMBL3609870

SCHEMBL3609870

CCc1ccc(N2CC3CN(C(=O)OC(C)(C)C)CCN3C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.50
SCN9A Q15858 1/20 0.44
TP53 P04637 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
LIPE Q05469 4/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
FPR2 P25090 2/20 0.39

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
SCHEMBL22171280 0.89 USP30 (0.49) USP30SCN9ATP53GPR119LIPE
SCHEMBL22390264 0.89 USP30 (0.48) USP30SCN9ATP53GPR119LIPE
SCHEMBL30557779 0.89 USP30 (0.48) USP30SCN9AGPR119SMN1; SMN2MEN1
SCHEMBL22390263 0.89 USP30 (0.48) USP30SCN9ATP53GPR119LIPE
SCHEMBL3604174 0.89 USP30 (0.48) USP30SCN9AGPR119SMN1; SMN2MEN1
SCHEMBL22390394 0.88 USP30 (0.52) USP30SCN9AGPR119LIPEFPR2
SCHEMBL22390396 0.88 USP30 (0.52) USP30SCN9AGPR119LIPEFPR2
SCHEMBL22390458 0.88 USP30 (0.48) USP30SCN9ATP53GPR119LIPE
SCHEMBL22171369 0.88 USP30 (0.48) USP30SCN9ATP53GPR119LIPE
SCHEMBL22390330 0.88 USP30 (0.47) USP30SCN9ATP53GPR119DDB1

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-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A USP30 4815/4885SCN9A 1132/4885TP53 3547/4885

“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.