SCHEMBL719957

SCHEMBL719957

COC(=O)c1ccc(N(CC2CC2)C(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 5/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK1 Q15118 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
LMNA P02545 1/20 0.36
GCK P35557 1/20 0.35
PTGER4 P35408 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TACR1 P25103 1/20 0.35
CCR5 P51681 1/20 0.35
CFTR P13569 1/20 0.34
HSD11B1 P28845 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
SCHEMBL1313460 0.77 HTR4 (0.45) LTC4SPDK1SLC6A3TACR1
SCHEMBL21100998 0.72 HTR4 (0.42)
Trifluoroacetic Acid SCHEMBL3029477 0.70 TACR1 (0.48) LTC4SPDK1SLC6A3TACR1
SCHEMBL1110874 0.70 NQO2 (0.52) PDK2
Trifluoroacetic Acid SCHEMBL3039331 0.70 TACR1 (0.45) LTC4SPDK1SLC6A3TACR1
SCHEMBL3530391 0.69 PDK2 (0.42) NR1H2NR1H3PDK2PDK1CFTR
SCHEMBL3029480 0.68 TACR1 (0.42) LTC4SPDK1SLC6A3TACR1
Trifluoroacetic Acid SCHEMBL3029533 0.68 TACR1 (0.46) PDK1SLC6A3TACR1
SCHEMBL1856929 0.68 PARP10 (0.50)
SCHEMBL722270 0.68 PTGER4 (0.52) LMNAGCKPTGER4

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 4 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

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 LTC4S 1150/4885NR1H2 896/4885NR1H3 1133/4885

“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.