SCHEMBL2541602

SCHEMBL2541602

CC(C)(CNc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 3/20 0.52
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 1/20 0.49
SCD O00767 1/20 0.48
ALDH1A1 P00352 5/20 0.48
PKM P14618 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CSNK1D P48730 1/20 0.45
KMT2A Q03164 2/20 0.45
TNF P01375 1/20 0.44
ELANE P08246 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5021496 0.82 PCSK9 (0.59) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL8977438 0.78 NPC1 (0.56) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL22242755 0.77 PCSK9 (0.65) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL1980682 0.76 BCHE (0.58) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL2543034 0.74 NPC1 (0.54) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL1985103 0.74 NPC1 (0.52) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4464811 0.74 MEN1 (0.42) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL11451768 0.74 ELANE (0.61) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL4686905 0.74 NPC1 (0.51) PCSK9RAB9ANPC1GAASMN1; SMN2
SCHEMBL25057028 0.73 NPC1 (0.50) PCSK9RAB9ANPC1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044078-B2 Amino-alkyl amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2011-10-25 US disclosed
US-20080280961-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
EP-1940777-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007034253-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2007-03-29 WO 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-20080280961-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 PCSK9 4117/4885RAB9A 1905/4885NPC1 468/4885

“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.