SCHEMBL3587608

SCHEMBL3587608

O=C(OCc1ccccc1)N1CCC[C@H](c2nc(-c3cc(F)c[nH]3)co2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
JAK1 P23458 3/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
USP30 Q70CQ3 1/20 0.42
TRPC3 Q13507 1/20 0.41
TRPC7 Q9HCX4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BCL9 O00512 4/20 0.39
CTNNB1 P35222 4/20 0.39
ENPP2 Q13822 2/20 0.39
PDE4B Q07343 1/20 0.39
CYP2C19 P33261 1/20 0.38
GRIN2B Q13224 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL3587612 1.00 JAK2 (0.46) JAK2JAK1TYK2JAK3USP30
SCHEMBL3577202 0.85 CYP1A2 (0.48) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL3577198 0.85 CYP1A2 (0.48) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL20028884 0.83 JAK2 (0.47) JAK2JAK1TYK2JAK3USP30
SCHEMBL3584429 0.79 GRM5 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29679550 0.78 JAK2 (0.43) JAK2JAK1TYK2JAK3USP30
SCHEMBL20028877 0.78 JAK2 (0.43) JAK2JAK1TYK2JAK3USP30
SCHEMBL3591832 0.76 BCL9 (0.42) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL3591829 0.76 BCL9 (0.42) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL3580779 0.76 GRM5 (0.44) RAB9AMEN1KMT2A

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 JAK2 3007/4885JAK1 2813/4885TYK2 1376/4885

“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.