SCHEMBL4398285

SCHEMBL4398285

CC(CO)NCC(=O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
HPGD P15428 2/20 0.50
CYP2B6 P20813 1/20 0.49
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 3/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
ITGA5 P08648 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHRNA3 P32297 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47
CHRNA7 P36544 1/20 0.47
OPRK1 P41145 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRND Q07001 1/20 0.47

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
SCHEMBL4393587 0.84 KDM4E (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4391321 0.81 HPGD (0.50) HPGDSLC6A3SLC6A4GPR139DPP4
SCHEMBL13753580 0.79 HPGD (0.72) HPGDCYP2B6SLC6A2SLC6A3CHRNA1
SCHEMBL10481543 0.78 ERCC5 (0.60) ERCC5FEN1HPGDCYP2B6SLC6A2
SCHEMBL4398281 0.77 PTPN1 (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4393537 0.77 CYP2B6 (0.63) ERCC5FEN1HPGDCYP2B6SLC6A2
SCHEMBL6488926 0.76 ERCC5 (0.62) ERCC5FEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL18410881 0.76 ERCC5 (0.62) ERCC5FEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL7438839 0.75 ERCC5 (0.57) ERCC5FEN1HPGDSLC6A2SLC6A3
SCHEMBL11791699 0.75 ERCC5 (0.76) ERCC5FEN1HPGDSMN1; SMN2MEN1

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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
US-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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 (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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 ERCC5 4175/4885FEN1 4842/4885HPGD 848/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 ERCC5 3974/4885FEN1 4815/4885HPGD 703/4885

“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.