SCHEMBL9113606

SCHEMBL9113606

C[C@@H](COc1ccc(-c2nn3cc(OCC4CC4)ccc3c2F)c(F)c1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.41
ACACA Q13085 7/20 0.39
SCN9A Q15858 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RIPK1 Q13546 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
SCHEMBL9110921 0.93 ACACB (0.49) ACACBACACA
SCHEMBL9113125 0.92 ACACA (0.45) ACACBACACASCN9A
SCHEMBL9112650 0.89 PTGS2 (0.39) ACACB
SCHEMBL9114912 0.85 ACACA (0.41) ACACBACACAFFAR4RIPK1
SCHEMBL9111911 0.81 ACACB (0.44) ACACBACACA
SCHEMBL9113844 0.81 ACACB (0.38) ACACB
SCHEMBL9112880 0.80 ACACB (0.46) ACACBACACA
SCHEMBL9110148 0.79 ACACB (0.41) ACACBACACARIPK1
SCHEMBL9110377 0.79 ACACA (0.45) ACACBACACAFFAR4
SCHEMBL9112124 0.76 AURKA (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 ACACB 2/4885ACACA 1/4885SCN9A 2118/4885

“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.