SCHEMBL5508663

SCHEMBL5508663

FC(F)C(F)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
KCNA5 P22460 5/20 0.44
KCNE1 P15382 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
METAP1 P53582 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
SCHEMBL21742109 0.82 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4KCNA5KCNE1
SCHEMBL2023423 0.80
SCHEMBL29467531 0.80
SCHEMBL2457219 0.79 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4KCNA5KCNE1
Fluoride SCHEMBL28181322 0.78 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4KCNA5KCNE1
SCHEMBL6955104 0.77 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4KCNA5KCNE1
SCHEMBL6957054 0.77 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4KCNA5KCNE1
SCHEMBL27285350 0.77 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4KCNA5KCNE1
SCHEMBL21742235 0.76
SCHEMBL10873700 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061097-A Novel gamma secretase inhibitors SCHERING CORP (US) 2007-10-24 CN disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
EP-1663975-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20060100427-A1 Novel Gamma Secretase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2006-05-11 US disclosed
CN-1628100-A Gamma-secretase inhibitors SCHERING CORP (US) 2005-06-15 CN disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
WO-2005028440-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed
EP-1472223-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2004-11-03 EP disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
US-20040048848-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2004-03-11 US disclosed
WO-2003066592-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-08-14 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 (4 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP SLC6A3 3733/4885SLC6A2 4363/4885SLC6A4 4744/4885
US-20040048848-A1 Novel gamma secretase inhibitors BACE1, BACE2, PSEN1 SLC6A3 4319/4885SLC6A2 4718/4885SLC6A4 4725/4885
US-20060100427-A1 Novel Gamma Secretase inhibitors BACE1, BACE2, PSEN1 SLC6A3 4365/4885SLC6A2 4687/4885SLC6A4 4742/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP SLC6A3 2118/4885SLC6A2 3577/4885SLC6A4 4464/4885

“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.