SCHEMBL3591534

SCHEMBL3591534

O=C(c1ccc(F)c(F)c1)N1CCCC(c2nc(-c3ccccn3)co2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.49
GRM5 P41594 4/20 0.48
HSD11B1 P28845 3/20 0.47
PROKR1 Q8TCW9 2/20 0.46
MAP3K12 Q12852 1/20 0.45
HPGD P15428 1/20 0.45
NAMPT P43490 1/20 0.45
RAB9A P51151 1/20 0.45
CLPP Q16740 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3591531 1.00 PDE2A (0.49) PDE2AGRM5HSD11B1PROKR1MAP3K12
SCHEMBL30794880 0.90 GRM5 (0.56) GRM5HSD11B1MAP3K12NAMPTRAB9A
SCHEMBL3586318 0.90 GRM5 (0.56) GRM5HSD11B1MAP3K12NAMPTRAB9A
SCHEMBL3586314 0.90 GRM5 (0.56) GRM5HSD11B1MAP3K12NAMPTRAB9A
SCHEMBL4131124 0.85 GRM5 (0.67) GRM5HSD11B1RAB9ACLPPL3MBTL1
SCHEMBL4131115 0.85 GRM5 (0.67) GRM5HSD11B1RAB9ACLPPL3MBTL1
SCHEMBL27760063 0.83 GRM5 (0.54) GRM5HSD11B1MAP3K12RAB9A
SCHEMBL4234140 0.81 HSD11B1 (0.48) PDE2AGRM5HSD11B1PROKR1MAP3K12
SCHEMBL4234144 0.81 HSD11B1 (0.48) PDE2AGRM5HSD11B1PROKR1MAP3K12
SCHEMBL3575146 0.80 PROKR1 (0.51) GRM5HSD11B1PROKR1RAB9ACLPP

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 10 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 claimed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 US claimed
EP-2089386-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2009-08-19 EP claimed
WO-2008056259-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2008-05-15 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
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 PDE2A 1448/4885GRM5 1/4885HSD11B1 2395/4885

“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.