SCHEMBL9111189

SCHEMBL9111189

C[C@@H](COc1ccc(Br)nc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.49
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
ACACA Q13085 1/20 0.44

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
SCHEMBL18027251 0.83 ACACB (0.45) ACACBMTNR1AMTNR1BACACA
SCHEMBL21749916 0.82 MTNR1A (0.58) ACACBMTNR1AMTNR1BACACA
SCHEMBL21749917 0.82 MTNR1A (0.58) ACACBMTNR1AMTNR1BACACA
SCHEMBL9112077 0.81 ACACB (0.47) ACACBMTNR1AMTNR1BACACA
SCHEMBL9113234 0.79 MTNR1A (0.44) ACACBMTNR1AMTNR1B
SCHEMBL15641638 0.77 MTNR1A (0.59) ACACBMTNR1AMTNR1BACACA
SCHEMBL256084 0.76 CHRNB2 (0.44)
SCHEMBL9111530 0.76 MTNR1A (0.58) ACACBMTNR1AMTNR1BACACA
SCHEMBL18990149 0.76 MMP2 (0.38)
SCHEMBL2551008 0.76 MTNR1A (0.58) ACACBMTNR1AMTNR1BACACA

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 2/4885MTNR1A 2074/4885MTNR1B 1522/4885

“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.