SCHEMBL5167170

SCHEMBL5167170

CCC(I)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
CYP17A1 P05093 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9047470 0.82 ALDH1A1 (0.40) AOC3IDO1TDO2SLC6A2SLC6A4
SCHEMBL2632859 0.80 ADRA2A (0.47) AOC3IDO1TDO2CYP17A1SLC6A2
SCHEMBL8741675 0.78 CHRNA7 (0.41) IDO1SLC6A2SLC6A3ACHETDP1
SCHEMBL19493681 0.77 AOC3 (0.42) AOC3IDO1TDO2SLC6A2SLC6A4
SCHEMBL8741690 0.76 ESR1 (0.60) SLC6A2SLC6A3TDP1LMNAALDH1A1
SCHEMBL8741662 0.76 ADRB2 (0.44) AOC3IDO1TDO2SLC6A2SLC6A4
SCHEMBL26869984 0.76 TRPA1 (0.41) AOC3IDO1TDO2LMNAHTT
SCHEMBL13350443 0.76 ESR1 (0.60) SLC6A2SLC6A3TDP1LMNAALDH1A1
SCHEMBL7496948 0.76 SHBG (0.41)
SCHEMBL13126150 0.75 CYP17A1 (0.42) AOC3IDO1TDO2CYP17A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415735-C Amino alcohol derivatives SANKYO CO (JP) 2008-09-03 CN disclosed
CN-1328387-C Amino alcohol derivatives SANKYO CO (JP) 2007-07-25 CN disclosed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
CN-1267429-C Amino alcohol derivatives SANKYO CO (JP) 2006-08-02 CN disclosed
CN-1800175-A Amino alcohol derivatives SANKYO CO (JP) 2006-07-12 CN disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
CN-1680563-A Amino alcohol derivatives SANKYO CO (JP) 2005-10-12 CN 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
CN-1494540-A Amino alcohol derivatives ������������ʽ���� 2004-05-05 CN 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 (2 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 AOC3 702/4885IDO1 59/4885TDO2 2073/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A AOC3 702/4885IDO1 59/4885TDO2 2073/4885

“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.