SCHEMBL195513

SCHEMBL195513

O=C(O)CC(CC(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
ACP3 P15309 1/20 0.49
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
PTGFR P43088 3/20 0.45
CTSA P10619 5/20 0.44
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
MIF P14174 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
MAPT P10636 1/20 0.41
MME P08473 1/20 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
SCHEMBL195533 0.92 CNR2 (0.46) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL21632052 0.90 GABBR2 (0.56) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL13703408 0.90 GABBR2 (0.56) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL3179319 0.85 CNR1 (0.48) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL3179311 0.85 CNR1 (0.48) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL3179325 0.85 CNR1 (0.48) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL11077553 0.84 CNR2 (0.47) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL28199545 0.84 CNR2 (0.50) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL27697258 0.84 CNR2 (0.50) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL8135033 0.84 CYSLTR2 (0.46) CNR2ACP3CACNA2D1CACNA1BCACNB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 CNR2 2884/4885ACP3 4278/4885CACNA2D1 1071/4885

“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.