SCHEMBL4085982

SCHEMBL4085982

CCOC(=O)C1CC(O)CN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.45
ADRB2 P07550 1/20 0.44
GLA P06280 1/20 0.44
HSD11B1 P28845 1/20 0.43
HTT P42858 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
SCHEMBL2436680 0.82 HPGD (0.65) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL192942 0.81 HPGD (0.77) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL3339277 0.80 TSHR (0.67) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4097862 0.80 HPGD (0.50) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4092578 0.79 HPGD (0.49) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL5745620 0.77 HPGD (0.71) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL30937118 0.77 HSD11B1 (0.56) ALDH1A1KMT2AMEN1ATMHSD11B1
SCHEMBL8163302 0.72 PAX8 (0.62) ALDH1A1KMT2AMEN1ATMHSD11B1
SCHEMBL14636622 0.72 SMN1; SMN2 (0.50) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL7232734 0.72 HPGD (0.47) HPGDALDH1A1KMT2APOLBSMN1; 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 5 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
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
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 HPGD 2812/4885ALDH1A1 4261/4885KMT2A 2493/4885

“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.