SCHEMBL4399515

SCHEMBL4399515

CC(CO)NCC(=O)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
GPR139 Q6DWJ6 2/20 0.45
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
POLB P06746 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.42
DPP4 P27487 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL4401492 0.75 NPC1 (0.48) ERCC5FEN1GPR139RAB9ANPC1
SCHEMBL4391321 0.74 HPGD (0.50) GPR139POLBDPP4HPGD
SCHEMBL29987169 0.73 ERCC5 (0.74) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL11650545 0.73 ERCC5 (0.53) ERCC5FEN1GPR139RAB9AMEN1
SCHEMBL2323471 0.73 ERCC5 (0.50) ERCC5FEN1GPR139RAB9AMEN1
SCHEMBL4398285 0.73 ERCC5 (0.51) ERCC5FEN1GPR139RAB9AMEN1
SCHEMBL2848421 0.72 CES2 (0.60) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL2519308 0.71 ERCC5 (0.65) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL2837238 0.70 ERCC5 (0.58) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL9376553 0.70 ERCC5 (0.54) ERCC5FEN1GPR139RAB9AMEN1

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 4842/4885GPR139 467/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 ERCC5 3974/4885FEN1 4815/4885GPR139 368/4885

“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.