SCHEMBL9113152

SCHEMBL9113152

CCOc1ccc2cn(-c3ccc(OC[C@H](C)NC(=O)O)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 2/20 0.43
DGAT1 O75907 5/20 0.42
ACACB O00763 2/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AURKA O14965 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40

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
SCHEMBL9111891 0.92 ACACB (0.50) ACACBMTNR1AMTNR1B
SCHEMBL9113488 0.87 ACACB (0.48) ACACB
SCHEMBL9110113 0.87 ACACB (0.41) GCGDGAT1ACACBAKR1C3AKR1C2
SCHEMBL9109744 0.83 MTNR1A (0.46) GCGMEN1NPC1RAB9AKMT2A
SCHEMBL9909866 0.79 ACACB (0.47) ACACBMTNR1AMTNR1B
SCHEMBL9113673 0.79 ACACB (0.56) ACACB
SCHEMBL9111699 0.79 ACACA (0.49) ACACB
Water SCHEMBL9112905 0.79 ACACB (0.46) ACACBMTNR1AMTNR1B
SCHEMBL15968087 0.78 ACACB (0.46) ACACB
SCHEMBL9113010 0.78 ACACB (0.47) ACACB

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 GCG 134/4885DGAT1 170/4885ACACB 2/4885

“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.