SCHEMBL9112650

SCHEMBL9112650

CCOc1ccc2c(F)c(-c3ccc(OC[C@H](C)NC(=O)O)cc3F)nn2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
ACACB O00763 7/20 0.37
GPR88 Q9GZN0 1/20 0.35
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PTGS1 P23219 1/20 0.34
DGAT1 O75907 2/20 0.34
HMOX1 P09601 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL9111911 0.93 ACACB (0.44) ACACBMTNR1AMTNR1B
SCHEMBL9113844 0.92 ACACB (0.38) PTGS2ACACB
SCHEMBL9113606 0.89 ACACB (0.41) ACACB
SCHEMBL9112124 0.87 AURKA (0.39) ACACBTP53MTNR1AMTNR1B
SCHEMBL9113694 0.84 PTGS2 (0.38) PTGS2ACACBGPR88TP53DGAT1
SCHEMBL9110921 0.81 ACACB (0.49) ACACB
SCHEMBL9113125 0.81 ACACA (0.45) ACACB
SCHEMBL9114809 0.79 MTNR1A (0.46) ACACBMTNR1AMTNR1B
SCHEMBL9112867 0.78 MTNR1A (0.46) ACACBMTNR1AMTNR1B
SCHEMBL9114912 0.73 ACACA (0.41) 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 PTGS2 2603/4885ACACB 2/4885GPR88 2072/4885

“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.