SCHEMBL4152457

SCHEMBL4152457

O=C(c1ccc(F)cc1)N1CCCC1Cc1nc(-c2ccc(F)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.55
CLPP Q16740 1/20 0.55
SPHK1 Q9NYA1 6/20 0.52
NAMPT P43490 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
POLB P06746 1/20 0.46
SPHK2 Q9NRA0 5/20 0.46

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
SCHEMBL4138845 0.84 SPHK1 (0.49) GRM5CLPPSPHK1SIRT2SPHK2
SCHEMBL19835630 0.82 SPHK1 (0.56) SPHK1POLBSPHK2
SCHEMBL1778426 0.81 HCRTR1 (0.60)
SCHEMBL19033692 0.74 SPHK1 (0.72) SPHK1SPHK2
SCHEMBL14498799 0.73 ALDH1A1 (0.60) MEN1KMT2AHRH3POLB
SCHEMBL8252500 0.73 ALDH1A1 (0.60) MEN1KMT2AHRH3POLB
SCHEMBL8242997 0.73 ALDH1A1 (0.60) MEN1KMT2AHRH3POLB
SCHEMBL2349018 0.73 HRH3 (0.69) HRH3
SCHEMBL2349019 0.73 HRH3 (0.69) HRH3
SCHEMBL16949469 0.73 SPHK2 (0.51) SPHK1KMT2APOLBSPHK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US claimed
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 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-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 GRM5 1/4885CLPP 4656/4885SPHK1 2380/4885

“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.