SCHEMBL3501523

SCHEMBL3501523

CCCN1C(=O)OC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.48
ACACA Q13085 3/20 0.48
HRH3 Q9Y5N1 3/20 0.40
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34
EPHX1 P07099 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
SCHEMBL3497241 0.93 ACACB (0.53) ACACBACACAHRH3POLBKDM4E
SCHEMBL3496473 0.87 HRH3 (0.42) ACACBACACAHRH3KDM4EMAPT
SCHEMBL3496737 0.84 HRH3 (0.42) ACACBACACAHRH3POLBKDM4E
SCHEMBL3494921 0.83 ACACB (0.48) ACACBACACAHRH3POLBKDM4E
SCHEMBL13312036 0.81 ACACB (0.42) ACACBACACA
Hydrochloric Acid SCHEMBL3496430 0.80 ACACB (0.41) ACACBACACA
SCHEMBL3496450 0.78 ACACB (0.50) ACACBACACAHRH3POLBKDM4E
SCHEMBL3498260 0.76 ACACB (0.52) ACACBACACAHRH3POLBKDM4E
SCHEMBL3497552 0.75 ACACB (0.52) ACACBACACAHRH3POLBKDM4E
SCHEMBL3499619 0.75 ACACB (0.52) ACACBACACAHRH3POLBKDM4E

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 1/4885HRH3 4836/4885

“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.