SCHEMBL1970050

SCHEMBL1970050

O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2noc(-c3ccc[nH]3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
PDE2A O00408 1/20 0.46
HSD11B1 P28845 3/20 0.45
RAB9A P51151 4/20 0.44
CLPP Q16740 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL1971378 1.00 GRM5 (0.47) GRM5PDE2AHSD11B1RAB9ACLPP
SCHEMBL1969669 0.90 GRM5 (0.55) GRM5HSD11B1RAB9ACLPPPOLB
SCHEMBL1969529 0.90 GRM5 (0.55) GRM5HSD11B1RAB9ACLPPPOLB
SCHEMBL1971464 0.87 PDE2A (0.46) GRM5PDE2AHSD11B1RAB9ACLPP
SCHEMBL1969263 0.86 HSD11B1 (0.45) GRM5HSD11B1RAB9ACLPPPOLB
SCHEMBL1969258 0.86 HSD11B1 (0.45) GRM5HSD11B1RAB9ACLPPPOLB
SCHEMBL4223128 0.85 HSD11B1 (0.50) GRM5PDE2AHSD11B1RAB9ACLPP
SCHEMBL4227825 0.85 HSD11B1 (0.62) GRM5PDE2AHSD11B1RAB9ACLPP
SCHEMBL1971053 0.85 PDE2A (0.47) GRM5PDE2AHSD11B1RAB9ACLPP
SCHEMBL1969343 0.85 MEN1 (0.56) GRM5PDE2AHSD11B1RAB9ACLPP

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 5 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-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

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 1/4885PDE2A 1038/4885HSD11B1 3461/4885

“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.