SCHEMBL80759

SCHEMBL80759

Cc1cccc(CCCOc2ccc(Br)cc2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
CCR5 P51681 1/20 0.42
AAK1 Q2M2I8 2/20 0.40
MAOA P21397 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
AR P10275 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 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
SCHEMBL80586 0.85 FNTA (0.50) MAOBMAOAFNTAFNTBPGGT1B
SCHEMBL27807107 0.85 MAOB (0.39) MAOBCCR5AAK1MAOAFNTA
SCHEMBL80971 0.82 FNTA (0.51) MAOBMAOAFNTAFNTBPGGT1B
SCHEMBL87043 0.78 S1PR1 (0.47) FNTAFNTBPGGT1BHPGDALDH1A1
Hydrochloric Acid SCHEMBL82543 0.77 S1PR1 (0.46) FNTAFNTBPGGT1BHPGDALDH1A1
SCHEMBL4456952 0.77 HPGD (0.56) MAOBAAK1MAOAHPGDALDH1A1
SCHEMBL27404855 0.76 ALDH1A1 (0.62) HPGDALDH1A1ARNPSR1SMN1; SMN2
SCHEMBL7928285 0.75 HPGD (0.51) MAOBAAK1MAOAHPGDALDH1A1
SCHEMBL2465179 0.74 ALDH1A1 (0.64) HPGDALDH1A1ARNPSR1SMN1; SMN2
SCHEMBL2469582 0.74 ALDH1A1 (0.64) HPGDALDH1A1ARNPSR1SMN1; SMN2

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 10 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
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
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 MAOB 154/4885CCR5 337/4885AAK1 2926/4885

“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.