SCHEMBL3587803

SCHEMBL3587803

NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
CYP2C19 P33261 1/20 0.72
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.50
HSD11B1 P28845 1/20 0.50
PDE4B Q07343 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
JAK2 O60674 2/20 0.48

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
SCHEMBL1437372 1.00 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9ALMNA
SCHEMBL5350590 0.92 SMN1; SMN2 (0.85) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL12071947 0.92 SMN1; SMN2 (0.85) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL204145 0.90 SMN1; SMN2 (0.71) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL1933206 0.90 SMN1; SMN2 (0.71) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL3277860 0.90 SMN1; SMN2 (0.71) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL29332889 0.87 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2180966 0.87 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL13133558 0.87 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL4011730 0.87 ALDH1A1 (0.64) SMN1; SMN2CYP2C19NPC1RAB9ALMNA

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 SMN1; SMN2 3305/4885CYP2C19 3266/4885NPC1 4150/4885

“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.