SCHEMBL195327

SCHEMBL195327

COC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ F10 P00742 1/20 0.41
▸ APP P05067 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ PDE2A O00408 3/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KCNA3 P22001 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL11047897 0.84 OPRM1 (0.47) F10HSD11B1KCNA3OPRM1PDE4A
SCHEMBL16897591 0.82 OPRM1 (0.47) HSD11B1KCNA3OPRM1PDE4APDE4B
SCHEMBL16287573 0.81 KCNA3 (0.48) F10KCNA3PDE4APDE4BPDE4C
SCHEMBL15348097 0.81 PDE4A (0.39) F10HSD11B1KCNA3OPRM1PDE4A
SCHEMBL5765569 0.80 MEN1 (0.50) HSD11B1SLC6A4KCNA3OPRM1KMT2A
SCHEMBL2312942 0.78 PDE4A (0.43) HSD11B1KCNA3OPRM1PDE4APDE4B
SCHEMBL253213 0.78 THRB (0.38) THRBF10APPCFTRSLC6A4
SCHEMBL23699027 0.78 THRB (0.40) THRBF10APPHSD11B1KCNA3
SCHEMBL21820719 0.77 SLC6A4 (0.41) F10PDE2AHSD11B1SLC6A4SLC6A3
SCHEMBL11793670 0.76 OPRM1 (0.41) PDE2AHSD11B1SLC6A4SLC6A3OPRM1

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 THRB 3114/4885F10 812/4885APP 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.

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