SCHEMBL9110377

SCHEMBL9110377

C[C@@H](COc1ccc(-c2cc3ccc(OCC4CC4)cn3n2)c(F)c1)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 7/20 0.45
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
ACACB O00763 12/20 0.39
FFAR4 Q5NUL3 2/20 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
SCHEMBL9114912 0.93 ACACA (0.41) ACACAACACBFFAR4
SCHEMBL9112880 0.92 ACACB (0.46) ACACAACACB
SCHEMBL16622808 0.86 PARP10 (0.39) ACACAPARP10PARP15ACACBFFAR4
SCHEMBL9113125 0.85 ACACA (0.45) ACACAPARP10PARP15ACACB
SCHEMBL9110148 0.84 ACACB (0.41) ACACAACACB
SCHEMBL9109737 0.83 ACACB (0.47) ACACAACACB
SCHEMBL9113694 0.82 PTGS2 (0.38) ACACBFFAR4
SCHEMBL9110509 0.82 ACACB (0.42) ACACAACACB
SCHEMBL9112867 0.81 MTNR1A (0.46) ACACAACACB
SCHEMBL9114793 0.81 ACACB (0.49) ACACAACACB

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 7 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-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US 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
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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 ACACA 1/4885PARP10 2959/4885PARP15 2480/4885

“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.