SCHEMBL9113280

SCHEMBL9113280

C[C@@H](COc1cc(F)c(Br)c(F)c1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
SCN9A Q15858 3/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL9110740 0.85 MTNR1A (0.47) MTNR1AMTNR1BACACBACACA
SCHEMBL9112756 0.82 MTNR1A (0.43) MTNR1AMTNR1BSCN9A
SCHEMBL9114780 0.79 MTNR1A (0.47) MTNR1AMTNR1BSCN9AACACBACACA
SCHEMBL9112487 0.78 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL21749917 0.77 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1ACACBACACA
SCHEMBL21749916 0.77 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1ACACBACACA
SCHEMBL15968239 0.77 MTNR1A (0.45) MTNR1AMTNR1BACACBACACA
SCHEMBL9113027 0.76 MTNR1A (0.44) MTNR1AMTNR1BACACBACACA
SCHEMBL3582664 0.75 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL9110400 0.75 ALDH1A1 (0.48) MTNR1AMTNR1BLMNAALDH1A1ACACB

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 MTNR1A 2074/4885MTNR1B 1522/4885SCN9A 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.