SCHEMBL1969341

SCHEMBL1969341

Cc1c[nH]c(-c2noc([C@H]3CCCN(C(=O)c4cnoc4C)C3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.52
TSHR P16473 4/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
GRM5 P41594 2/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL1969344 1.00 HSD11B1 (0.52) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1972640 0.91 HSD11B1 (0.51) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1972643 0.91 HSD11B1 (0.51) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1974720 0.85 HSD11B1 (0.56) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1970071 0.85 HSD11B1 (0.56) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL5130289 0.85 GRM5 (0.52) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1971181 0.84 HSD11B1 (0.49) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1975916 0.84 HSD11B1 (0.49) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1971616 0.84 ALDH1A1 (0.58) HSD11B1TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1971611 0.84 ALDH1A1 (0.58) HSD11B1TSHRHTTALDH1A1SMN1; SMN2

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 10 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
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 HSD11B1 3461/4885TSHR 311/4885HTT 1296/4885

“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.