SCHEMBL6042447

SCHEMBL6042447

COC(=O)c1ccccc1OCC(C)Br

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.50
HTT P42858 2/20 0.49
HSP90AA1 P07900 2/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL385218 0.87 ALDH1A1 (0.54) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL6776012 0.84 SLC6A3 (0.50) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL21505718 0.84 SLC6A3 (0.50) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL16836610 0.83 SLC6A3 (0.51) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL28042985 0.80 SLC6A3 (0.56) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL10842173 0.79 ADRB2 (0.68) ALDH1A1TSHRCYP1A2CYP2C9SMN1; SMN2
SCHEMBL30553984 0.78 HCRTR1 (0.65) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL28136228 0.78 SLC6A3 (0.57) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL1989129 0.78 HCRTR1 (0.65) SLC6A3HTTHSP90AA1MAPTNPSR1
SCHEMBL4385291 0.78 SLC6A3 (0.57) SLC6A3HTTHSP90AA1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 SLC6A3 877/4885HTT 161/4885HSP90AA1 4032/4885

“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.