SCHEMBL1973733

SCHEMBL1973733

Cc1oncc1C(=O)N1CCCC(c2nc(-c3cc4ccccc4[nH]3)no2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 4/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM5 P41594 2/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL1973729 1.00 HSD11B1 (0.56) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL1968064 0.85 HSD11B1 (0.53) HSD11B1NPC1RAB9ATSHRHTT
SCHEMBL1970071 0.85 HSD11B1 (0.56) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL1974720 0.85 HSD11B1 (0.56) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL4152452 0.85 HSD11B1 (0.77) HSD11B1
SCHEMBL4152455 0.85 HSD11B1 (0.77) HSD11B1
SCHEMBL1969344 0.83 HSD11B1 (0.52) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL1969341 0.83 HSD11B1 (0.52) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL1970958 0.83 MEN1 (0.71) HSD11B1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL1970963 0.83 MEN1 (0.71) HSD11B1RAB9ATSHRALDH1A1SMN1; 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 6 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
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 3461/4885NPC1 3977/4885RAB9A 1089/4885

“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.