SCHEMBL3597096

SCHEMBL3597096

O=C(c1ccnc(F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3F)co2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PROKR1 Q8TCW9 7/20 0.46
GRM5 P41594 1/20 0.46
CLPP Q16740 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 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
SCHEMBL3597100 1.00 MEN1 (0.48) MEN1KMT2APROKR1GRM5CLPP
SCHEMBL30794765 1.00 MEN1 (0.48) MEN1KMT2APROKR1GRM5CLPP
SCHEMBL3575142 0.91 PROKR1 (0.51) PROKR1GRM5CLPPALDH1A1LMNA
SCHEMBL3575146 0.91 PROKR1 (0.51) PROKR1GRM5CLPPALDH1A1LMNA
SCHEMBL3585701 0.90 GRM5 (0.57) MEN1KMT2APROKR1GRM5CLPP
SCHEMBL3585711 0.90 GRM5 (0.57) MEN1KMT2APROKR1GRM5CLPP
SCHEMBL30794892 0.90 GRM5 (0.57) MEN1KMT2APROKR1GRM5CLPP
SCHEMBL3575099 0.88 MEN1 (0.47) MEN1KMT2APROKR1GRM5CLPP
SCHEMBL30794419 0.88 MEN1 (0.47) MEN1KMT2APROKR1GRM5CLPP
SCHEMBL3575094 0.88 MEN1 (0.47) MEN1KMT2APROKR1GRM5CLPP

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 12 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
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
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
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
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 MEN1 4680/4885KMT2A 1501/4885PROKR1 1316/4885

“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.