SCHEMBL3607083

SCHEMBL3607083

CC(C)(C)OC(=O)N1CCN2C(=O)N(c3ccc4c(c3)CCC4)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NR1H2 P55055 1/20 0.43
SCN9A Q15858 1/20 0.43
ESR2 Q92731 1/20 0.42
FPR2 P25090 2/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
PDE4B Q07343 1/20 0.37
CYP17A1 P05093 1/20 0.37
AR P10275 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
LIPE Q05469 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
SCHEMBL3610744 0.84 USP30 (0.54) USP30NR1H2SCN9ASMARCA2SMARCA4
SCHEMBL3604459 0.84 USP30 (0.55) USP30NR1H2SCN9AFPR2SMARCA2
SCHEMBL3608564 0.83 USP30 (0.54) USP30SCN9AFPR2SMARCA2SMARCA4
SCHEMBL22390396 0.83 USP30 (0.52) USP30SCN9AESR2FPR2SMARCA2
SCHEMBL22390394 0.83 USP30 (0.52) USP30SCN9AESR2FPR2SMARCA2
SCHEMBL3608099 0.82 USP30 (0.53) USP30NR1H2SCN9AFPR2SMARCA2
SCHEMBL23897991 0.82 USP30 (0.52) USP30SCN9AFPR2SMARCA2SMARCA4
SCHEMBL20616391 0.82 USP30 (0.52) USP30SCN9AFPR2SMARCA2SMARCA4
SCHEMBL31524262 0.82 USP30 (0.52) USP30SCN9AFPR2GPR119MAPT
SCHEMBL3609803 0.82 USP30 (0.52) USP30SCN9ATHRBALDH1A1LMNA

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 4815/4885NPC1 3763/4885RAB9A 2668/4885

“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.