SCHEMBL3604813

SCHEMBL3604813

CC(C)(C)OC(=O)N1CCN2C(=O)N(c3ccccc3)CC2C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.59
SCN9A Q15858 1/20 0.52
GPR119 Q8TDV5 2/20 0.50
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
NPC1 O15118 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
FPR2 P25090 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 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
SCHEMBL3607456 0.90 USP30 (0.59) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL17068128 0.90 USP30 (0.52) USP30SCN9AGPR119FPR2
SCHEMBL3595734 0.90 USP30 (0.58) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL22390396 0.89 USP30 (0.52) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL22390394 0.89 USP30 (0.52) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL20942552 0.89 USP30 (0.51) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL22390305 0.89 USP30 (0.51) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL23897991 0.88 USP30 (0.52) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL3609803 0.88 USP30 (0.52) USP30SCN9A
SCHEMBL20616391 0.88 USP30 (0.52) USP30SCN9AGPR119SMARCA2SMARCA4

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 1132/4885GPR119 268/4885

“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.