SCHEMBL1971965

SCHEMBL1971965

Cc1c[nH]c(-c2noc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 3/20 0.44
MAPT P10636 2/20 0.44
HPGDS O60760 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1971967 1.00 GRM5 (0.47) GRM5RAB9ANPC1ALDH1A1TSHR
SCHEMBL1974360 0.90 GRM5 (0.48) GRM5RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL1974274 0.90 HSD11B1 (0.47) GRM5RAB9ANPC1HSD11B1HPGDS
SCHEMBL1974271 0.90 HSD11B1 (0.47) GRM5RAB9ANPC1HSD11B1HPGDS
SCHEMBL1974358 0.90 GRM5 (0.48) GRM5RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL1973378 0.88 HDAC4 (0.47) GRM5RAB9AHSD11B1HPGDSHDAC4
SCHEMBL1973381 0.88 HDAC4 (0.47) GRM5RAB9AHSD11B1HPGDSHDAC4
SCHEMBL5130289 0.86 GRM5 (0.52) GRM5RAB9ANPC1ALDH1A1TSHR
SCHEMBL1972241 0.84 HSD11B1 (0.45) GRM5RAB9ANPC1ALDH1A1TSHR
SCHEMBL1969607 0.84 HSD11B1 (0.49) GRM5RAB9ANPC1ALDH1A1TSHR

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 4 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 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 1/4885RAB9A 1089/4885NPC1 3977/4885

“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.