SCHEMBL3974088

SCHEMBL3974088

CC(C)CN(CCCCO)C(=O)C(N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.37
FPR1 P21462 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CASR P41180 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX5 P09917 1/20 0.35
OPRD1 P41143 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL3972397 0.82 MC4R (0.53) ALDH1A1FPR1HSD17B10
SCHEMBL22992328 0.81 AOC3 (0.45) AOC3GAAALDH1A1FPR1HSD17B10
SCHEMBL22364647 0.81 SMN1; SMN2 (0.47) AOC3GAAALDH1A1FPR1HSD17B10
SCHEMBL14228918 0.77 GAA (0.47) GAAALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL3974113 0.75 DPP4 (0.37)
SCHEMBL14228916 0.74 GAA (0.44) GAAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4984176 0.73 TP53 (0.49) GAAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1285769 0.73 SLC22A1 (0.37) AOC3GAAALDH1A1SMN1; SMN2CASR
SCHEMBL1285767 0.73 SLC22A1 (0.37) AOC3GAAALDH1A1SMN1; SMN2CASR
SCHEMBL9019184 0.73 SMN1; SMN2 (0.57) GAAALDH1A1HSD17B10SMN1; SMN2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE AOC3 555/4885GAA 127/4885ALDH1A1 589/4885

“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.