SCHEMBL3498218

SCHEMBL3498218

CC(C)(C)OC(=O)N1CCC(N2CCOC3(C2)CC(C)(C)OC3=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.40
ACACB O00763 4/20 0.38
ACACA Q13085 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
HPGD P15428 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3497603 0.85 USP2 (0.49) USP2SMN1; SMN2RECQLMAPTKDM4E
SCHEMBL3494298 0.80 ACACB (0.58) ACACBACACAHRH3
SCHEMBL14222605 0.79 ACACB (0.33) ACACBACACA
Hydrochloric Acid SCHEMBL3497310 0.78 ACACB (0.32) ACACBACACA
SCHEMBL13312486 0.76 ACACB (0.62) ACACBACACA
SCHEMBL3497208 0.74 ACACB (0.70) ACACBACACA
SCHEMBL26668822 0.72 RECQL (0.47) USP2SMN1; SMN2RECQLMAPTKDM4E
SCHEMBL3212775 0.71 USP2 (0.68) USP2SMN1; SMN2RECQLHPGDGPR119
SCHEMBL34472082 0.71 USP2 (0.44) USP2SMN1; SMN2RECQLMAPTHRH3
SCHEMBL2673514 0.71 USP2 (0.44) USP2SMN1; SMN2RECQLMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC USP2 4310/4885SMN1; SMN2 1291/4885RECQL 2226/4885

“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.