SCHEMBL1974373

SCHEMBL1974373

O=C(c1ccc(F)cc1)N1CCCC(F)(c2nc(-c3ccc[nH]3)no2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.41
CLPP Q16740 1/20 0.41
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PROKR1 Q8TCW9 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2B P41595 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TACR3 P29371 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR183 P32249 1/20 0.35

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
SCHEMBL4094542 0.76 GRM5 (0.65) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1969211 0.75 GRM5 (0.73) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1971622 0.75 GRM5 (0.73) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1971547 0.75 GRM5 (0.73) GRM5CLPPATML3MBTL1MEN1
SCHEMBL4085502 0.75 GRM5 (0.52) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1968069 0.72 GRM5 (0.54) GRM5CLPPATML3MBTL1MEN1
SCHEMBL27710694 0.72 HTR2B (0.38) GRM5ATML3MBTL1ALDH1A1PROKR1
SCHEMBL1969529 0.69 GRM5 (0.55) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1969669 0.69 GRM5 (0.55) GRM5CLPPATML3MBTL1MEN1
SCHEMBL5133159 0.67 GRM5 (0.48) GRM5CLPPATML3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US claimed
EP-1912979-B1 PHENYL-{3-(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2011-06-22 EP disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
EP-1912979-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-04-23 EP disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS 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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 GRM5 1/4885CLPP 4541/4885ATM 4369/4885

“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.