SCHEMBL80586

SCHEMBL80586

N#Cc1cc(Br)ccc1OCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
PGGT1B P53609 3/20 0.50
MAOB P27338 4/20 0.49
MAOA P21397 3/20 0.49
HTR2C P28335 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTR2B P41595 2/20 0.45
HTR6 P50406 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NAAA Q02083 1/20 0.42
XDH P47989 2/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL80971 0.96 FNTA (0.51) FNTAFNTBPGGT1BMAOBMAOA
SCHEMBL80759 0.85 MAOB (0.43) FNTAFNTBPGGT1BMAOBMAOA
SCHEMBL27807107 0.85 MAOB (0.39) FNTAFNTBPGGT1BMAOBMAOA
SCHEMBL3382509 0.84 MAOB (0.60) MAOBMAOASLC6A4XDH
SCHEMBL4775913 0.83 MAOB (0.51) MAOBMAOAXDH
SCHEMBL20361707 0.80 MAOB (0.47) FNTAFNTBPGGT1BMAOBMAOA
SCHEMBL4456952 0.79 HPGD (0.56) MAOBMAOAALDH1A1HPGDXDH
SCHEMBL27404855 0.78 ALDH1A1 (0.62) ALDH1A1HPGD
SCHEMBL7928285 0.77 HPGD (0.51) MAOBMAOAALDH1A1HPGDXDH
SCHEMBL14820084 0.77 MAOB (0.45) MAOBMAOAALDH1A1HPGDXDH

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 9 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
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN 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 FNTA 3345/4885FNTB 4649/4885PGGT1B 2439/4885

“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.