SCHEMBL80803

SCHEMBL80803

FC(F)(F)c1ccc(Cl)c(CCCBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 3/20 0.39
KCNH2 Q12809 3/20 0.39
DAO P14920 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE2A O00408 1/20 0.37
TRAP1 Q12931 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
MCL1 Q07820 2/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
IDO1 P14902 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
SCHEMBL25090301 0.89 SLC6A4 (0.41) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL80853 0.86 DAO (0.50) SIRT2SLC6A4HTR2AKCNH2DAO
SCHEMBL894411 0.83 TAAR1 (0.43) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL3105504 0.83 GABRA2 (0.43) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL80680 0.83 TRPV1 (0.42) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL271188 0.82 SLC6A4 (0.46) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL29594772 0.82 SLC6A4 (0.46) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL3322996 0.81 SLC6A4 (0.39) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL14157106 0.79 TAAR1 (0.50) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL25090457 0.79 SLC6A4 (0.41) SLC6A4SLC6A2HTR2AKCNH2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C SIRT2 3865/4885SLC6A4 45/4885SLC6A2 22/4885

“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.