SCHEMBL9114852

SCHEMBL9114852

CCOc1ccc2nc(-c3ccc(OC[C@H](C)NC(=O)O)cn3)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.46
ACACA Q13085 2/20 0.46
CYP1A2 P05177 2/20 0.46
APP P05067 2/20 0.46
F2RL3 Q96RI0 4/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9114681 0.92 ACACB (0.46) ACACBACACACYP1A2APPF2RL3
SCHEMBL9113832 0.92 ACACB (0.54) ACACBACACACYP1A2APPF2RL3
SCHEMBL9112686 0.91 ACACB (0.46) ACACBACACACYP1A2APPF2RL3
SCHEMBL9112645 0.90 ACACB (0.47) ACACBACACACYP1A2APPF2RL3
SCHEMBL9113807 0.90 ACACB (0.44) ACACBACACACYP1A2APPF2RL3
SCHEMBL9112868 0.89 ACACB (0.45) ACACBACACAAPPF2RL3SMN1; SMN2
SCHEMBL9112676 0.89 ACACB (0.44) ACACBACACACYP1A2APPF2RL3
SCHEMBL9113117 0.88 ACACB (0.61) ACACBACACAF2RL3
SCHEMBL9113322 0.88 ACACB (0.43) ACACBACACACYP1A2APPF2RL3
SCHEMBL15968429 0.88 ACACB (0.61) ACACBACACAF2RL3

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 1/4885CYP1A2 1092/4885

“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.