SCHEMBL1969899

SCHEMBL1969899

Cc1oncc1C(=O)N1CCCC(c2noc(-c3cc(Cl)c[nH]3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.52
CHRNA4 P43681 1/20 0.40
PDE2A O00408 1/20 0.40
PROKR1 Q8TCW9 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM5 P41594 2/20 0.37

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
SCHEMBL1969898 1.00 HSD11B1 (0.52) HSD11B1CHRNA4PDE2APROKR1NPC1
SCHEMBL1975916 0.91 HSD11B1 (0.49) HSD11B1CHRNA4PDE2ANPC1RAB9A
SCHEMBL1971181 0.91 HSD11B1 (0.49) HSD11B1CHRNA4PDE2ANPC1RAB9A
SCHEMBL1972640 0.84 HSD11B1 (0.51) HSD11B1NPC1RAB9AGRM5
SCHEMBL1972643 0.84 HSD11B1 (0.51) HSD11B1NPC1RAB9AGRM5
SCHEMBL5128026 0.83 HSD11B1 (0.48) HSD11B1PROKR1NPC1RAB9AGRM5
SCHEMBL1973243 0.82 HSD11B1 (0.48) HSD11B1PDE2APROKR1GRM5
SCHEMBL1973245 0.82 HSD11B1 (0.48) HSD11B1PDE2APROKR1GRM5
SCHEMBL1969244 0.82 HSD11B1 (0.49) HSD11B1PROKR1NPC1RAB9AGRM5
SCHEMBL1969242 0.82 HSD11B1 (0.49) HSD11B1PROKR1NPC1RAB9AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US claimed
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 claimed
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 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
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 HSD11B1 3461/4885CHRNA4 191/4885PDE2A 1038/4885

“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.