SCHEMBL3498906

SCHEMBL3498906

CCC1=NC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)N1CC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.55
ACACA Q13085 9/20 0.55
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HPGD P15428 1/20 0.36
HCAR1 Q9BXC0 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
SCHEMBL3494691 0.89 ACACB (0.54) ACACBACACABACE1CTSDCTSE
SCHEMBL3498146 0.87 ACACB (0.56) ACACBACACABACE1CTSDCTSE
SCHEMBL3498804 0.82 POLB (0.42) ACACBACACABACE1CTSDCTSE
SCHEMBL14222616 0.81 ACACB (0.51) ACACBACACA
SCHEMBL3498060 0.81 ACACB (0.42) ACACBACACABACE1CTSDCTSE
SCHEMBL3498814 0.80 ACACB (0.44) ACACBACACABACE1CTSDCTSE
SCHEMBL3497862 0.80 ACACB (0.44) ACACBACACABACE1CTSDCTSE
SCHEMBL3495422 0.79 ACACB (0.50) ACACBACACABACE1CTSDCTSE
SCHEMBL3498226 0.78 HRH3 (0.40) ACACBACACABACE1CTSDCTSE
SCHEMBL3497552 0.78 ACACB (0.52) ACACBACACABACE1CTSDCTSE

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 ACACB 6/4885ACACA 1/4885BACE1 2047/4885

“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.