SCHEMBL3498949

SCHEMBL3498949

CCN1CCC2(CCCN(C3CCN(C(=O)c4c(N(C(=O)O)C(C)(C)C)sc5ccccc45)CC3)C2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.67
ACACA Q13085 16/20 0.67

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
SCHEMBL3498794 0.85 ACACB (0.64) ACACBACACA
SCHEMBL3498870 0.84 ACACB (0.74) ACACBACACA
SCHEMBL3497657 0.83 ACACB (0.69) ACACBACACA
SCHEMBL4723439 0.83 ACACB (0.84) ACACBACACA
SCHEMBL3497028 0.83 ACACB (0.70) ACACBACACA
SCHEMBL3496726 0.81 ACACB (0.83) ACACBACACA
SCHEMBL13312524 0.81 ACACB (0.78) ACACBACACA
SCHEMBL3497941 0.81 ACACB (0.87) ACACBACACA
SCHEMBL3496708 0.80 ACACB (1.00) ACACBACACA
SCHEMBL3497404 0.79 ACACB (0.68) 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 1/4885

“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.