SCHEMBL6445074

SCHEMBL6445074

CON(C)CC([C]=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.49
SLC6A2 P23975 8/20 0.42
SLC6A4 P31645 8/20 0.42
SLC6A3 Q01959 8/20 0.42
KCNH2 Q12809 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
UTS2R Q9UKP6 4/20 0.40
UGT2B7 P16662 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL6008512 0.77 UGT2B7 (0.47) AOC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9852879 0.71 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL1663204 0.68 UGT2B7 (0.57) AOC3CYP2D6UGT2B7ADRA2AADRA2B
SCHEMBL5515413 0.67 UGT2B7 (0.52) AOC3CYP2D6UGT2B7ADRA2AADRA2B
SCHEMBL19986352 0.66 SLC6A3 (0.51) AOC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1753651 0.66 UGT2B7 (0.59) AOC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9005796 0.64 UGT2B7 (0.47) AOC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7434128 0.64 UGT2B7 (0.57) AOC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2650436 0.64 UGT2B7 (0.52) AOC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7676445 0.64 UGT2B7 (0.56) AOC3SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 AOC3 1192/4885SLC6A2 1965/4885SLC6A4 2808/4885

“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.