SCHEMBL13348013

SCHEMBL13348013

C=C(C)OC(=O)N1CCC(N2CCCC3(CC(=O)N(OC)C3=O)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.40
ACACA Q13085 14/20 0.40
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL13348011 0.88 ACACB (0.40) ACACBACACAPOLBMEN1KMT2A
SCHEMBL13348352 0.87 ACACB (0.53) ACACBACACAPOLBMEN1KMT2A
SCHEMBL13348153 0.87 ACACB (0.48) ACACBACACAPOLBMEN1KMT2A
SCHEMBL13348085 0.87 ACACB (0.40) ACACBACACAPOLBMEN1KMT2A
SCHEMBL3498231 0.84 HRH3 (0.41) ACACBACACA
SCHEMBL13348010 0.78 ACACB (0.57) ACACBACACA
SCHEMBL13312077 0.77 ACACB (0.34) ACACBACACA
Hydrochloric Acid SCHEMBL3497909 0.76 ACACB (0.34) ACACBACACA
SCHEMBL13348345 0.74 SIGMAR1 (0.45) ACACBACACAPOLBMEN1KMT2A
SCHEMBL3499269 0.73 ACACB (0.69) ACACBACACA

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 1 patent. 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

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 1/4885POLB 3928/4885

“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.