SCHEMBL3497552

SCHEMBL3497552

CCN1C(=O)CC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.52
ACACA Q13085 4/20 0.52
HRH3 Q9Y5N1 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE1 P56817 1/20 0.39
KCNH2 Q12809 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL3498855 0.91 HRH3 (0.44) ACACBACACAHRH3KDM4EMAPT
SCHEMBL3498096 0.88 HRH3 (0.43) ACACBACACAHRH3KDM4EMAPT
SCHEMBL3498231 0.88 HRH3 (0.41) ACACBACACAHRH3KDM4EMAPT
SCHEMBL3498130 0.87 CTSD (0.42) ACACBACACAHRH3KDM4EMAPT
SCHEMBL3494586 0.87 ACACB (0.48) ACACBACACAHRH3KDM4EMAPT
SCHEMBL13348352 0.86 ACACB (0.53) ACACBACACACHRM2CHRM3POLB
SCHEMBL3494726 0.85 ACACB (0.58) ACACBACACAHRH3POLBKDM4E
SCHEMBL3498966 0.82 ACACB (0.46) ACACBACACAHRH3KDM4EMAPT
SCHEMBL3496450 0.82 ACACB (0.50) ACACBACACAHRH3POLBKDM4E
SCHEMBL13312062 0.81 ACACB (0.49) ACACBACACACHRM2CHRM3

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 3 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
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.