SCHEMBL3589879

SCHEMBL3589879

NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.75
HSD17B10 Q99714 1/20 0.75
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.56
ATM Q13315 1/20 0.56
HSD11B1 P28845 2/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GRM5 P41594 1/20 0.52
CLPP Q16740 1/20 0.52
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL3589877 1.00 GLA (0.75) GLAHSD17B10RAB9ANPC1ATM
SCHEMBL2995058 0.88 GLA (0.79) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL2995061 0.87 GLA (0.77) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL192998 0.87 NPC1 (0.60) GLAHSD17B10RAB9ANPC1ATM
SCHEMBL191835 0.87 NPC1 (0.60) GLAHSD17B10RAB9ANPC1ATM
SCHEMBL5474311 0.87 HSD11B1 (0.68) GLAHSD17B10RAB9ANPC1ATM
SCHEMBL5474315 0.87 HSD11B1 (0.68) GLAHSD17B10RAB9ANPC1ATM
SCHEMBL1969349 0.87 GLA (0.57) GLAHSD17B10RAB9ANPC1ATM
SCHEMBL4615244 0.87 GLA (0.57) GLAHSD17B10RAB9ANPC1ATM
SCHEMBL3315881 0.86 GLA (1.00) GLAHSD17B10RAB9AKMT2AALDH1A1

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
EP-2089386-B1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2012-08-08 EP disclosed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 US disclosed
EP-2089386-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2009-08-19 EP disclosed
WO-2008056259-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2008-05-15 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-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GLA 3299/4885HSD17B10 3310/4885RAB9A 1544/4885

“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.