SCHEMBL1972864

SCHEMBL1972864

N#C[C@H]1CCCN(C(=O)c2ccc(F)nc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.53
BTD P43251 2/20 0.53
SCN9A Q15858 3/20 0.48
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.43
GRM5 P41594 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE2A O00408 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL1972867 1.00 VNN1 (0.53) VNN1BTDSCN9AALDH1A1LMNA
SCHEMBL1968059 0.83 NPC1 (0.54) ALDH1A1GRM5MEN1KMT2AL3MBTL1
SCHEMBL3387334 0.83 SCN9A (0.52) VNN1SCN9AALDH1A1GRM5RECQL
SCHEMBL3387338 0.83 SCN9A (0.52) VNN1SCN9AALDH1A1GRM5RECQL
SCHEMBL8257885 0.83 SCN9A (0.52) VNN1SCN9AALDH1A1GRM5RECQL
SCHEMBL1968055 0.83 NPC1 (0.54) ALDH1A1GRM5MEN1KMT2AL3MBTL1
SCHEMBL4228255 0.80 HSD11B1 (0.53) VNN1BTDALDH1A1LMNAMEN1
SCHEMBL4228258 0.80 HSD11B1 (0.53) VNN1BTDALDH1A1LMNAMEN1
SCHEMBL4024286 0.78 GRM5 (0.58) ALDH1A1GRM5MEN1KMT2AL3MBTL3
SCHEMBL4021340 0.77 HPGD (0.61) ALDH1A1GRM5MEN1KMT2AL3MBTL3

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
CN-101218234-B 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) 2011-12-14 CN disclosed
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
CN-101218234-A 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) 2008-07-09 CN 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 VNN1 4685/4885BTD 3309/4885SCN9A 1476/4885

“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.