SCHEMBL3497329

SCHEMBL3497329

CC(C)N1CCC2(CCCN(C(=O)OC(C)(C)C)C2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
HPGD P15428 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25897222 0.87 USP30 (0.43) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL24339457 0.85 GRIN2B (0.61) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL3496071 0.84 ACACB (0.50) USP30GRIN2BGRIN2CHRH3HPGD
SCHEMBL27330077 0.83 USP30 (0.46) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL27330075 0.83 USP30 (0.46) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL30690041 0.83 USP30 (0.46) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL3497947 0.83 USP30 (0.49) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL17082036 0.83 USP30 (0.49) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL19341582 0.83 USP30 (0.53) USP30USP2SMN1; SMN2MEN1KMT2A
SCHEMBL27330081 0.82 USP30 (0.48) USP30GRIN2BGRIN2CHRH3KDM4E

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 5 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
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 USP30 3125/4885GRIN2B 4231/4885GRIN2C 3909/4885

“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.