SCHEMBL386828

SCHEMBL386828

C#CCCCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
PYCR1 P32322 2/20 0.44
MAOB P27338 4/20 0.42
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.40
AOC3 Q16853 1/20 0.39
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL1311590 0.86 TAAR1 (0.50) TAAR1PYCR1MAOBMAOAAOC3
SCHEMBL4714657 0.78 TAAR1 (0.46) TAAR1MAOBCYP19A1AOC3IDO1
SCHEMBL386104 0.78 TAAR1 (0.46) TAAR1PYCR1MAOBAOC3IDO1
SCHEMBL18245725 0.78 TAAR1 (0.46) TAAR1MAOBCYP19A1AOC3IDO1
SCHEMBL3247875 0.78 TAAR1 (0.46) TAAR1MAOBCYP19A1AOC3IDO1
SCHEMBL2320532 0.78 TAAR1 (0.62) TAAR1MAOBCYP19A1AOC3IDO1
SCHEMBL10574057 0.78 TAAR1 (0.62) TAAR1MAOBCYP19A1AOC3IDO1
SCHEMBL386561 0.77 SIGMAR1 (0.48) MAOBMAOAIDO1
SCHEMBL10571903 0.76 TAAR1 (0.59) TAAR1MAOBCYP19A1AOC3IDO1
SCHEMBL27354175 0.76 CYP3A4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (7 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TAAR1 32/4885PYCR1 751/4885MAOB 1891/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT TAAR1 218/4885PYCR1 80/4885MAOB 2928/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TAAR1 32/4885PYCR1 751/4885MAOB 1891/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 TAAR1 309/4885PYCR1 259/4885MAOB 1852/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB TAAR1 28/4885PYCR1 68/4885MAOB 1482/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 TAAR1 71/4885PYCR1 102/4885MAOB 3146/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A TAAR1 12/4885PYCR1 260/4885MAOB 2006/4885

“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.