SCHEMBL3498231

SCHEMBL3498231

CON1C(=O)CC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
ACACB O00763 6/20 0.41
ACACA Q13085 6/20 0.41
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
EPHX1 P07099 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 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
SCHEMBL3498855 0.88 HRH3 (0.44) HRH3ACACBACACACTSDCTSE
SCHEMBL3498096 0.88 HRH3 (0.43) HRH3ACACBACACACTSDCTSE
SCHEMBL3497552 0.88 ACACB (0.52) HRH3ACACBACACACTSDCTSE
SCHEMBL3498130 0.87 CTSD (0.42) HRH3ACACBACACACTSDCTSE
SCHEMBL3494586 0.87 ACACB (0.48) HRH3ACACBACACACTSDCTSE
SCHEMBL13348013 0.84 ACACB (0.40) ACACBACACA
SCHEMBL3498966 0.82 ACACB (0.46) HRH3ACACBACACACTSDCTSE
SCHEMBL10568268 0.81 USP30 (0.42) HRH3CTSDCTSEBACE1KDM4E
SCHEMBL13312077 0.80 ACACB (0.34) HRH3ACACBACACA
SCHEMBL3494726 0.79 ACACB (0.58) HRH3ACACBACACACTSDCTSE

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
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 HRH3 4836/4885ACACB 6/4885ACACA 1/4885

“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.