SCHEMBL4092578

SCHEMBL4092578

CCOC(=O)C1CN(C(=O)c2ccc(F)cc2)CC(F)(F)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
PDE2A O00408 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.43
ADRB2 P07550 1/20 0.43
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL28520780 0.88 HPGD (0.47) HPGDPDE2AALDH1A1KMT2APOLB
SCHEMBL4089859 0.81 PDE2A (0.47) PDE2AALDH1A1KMT2APOLBMEN1
SCHEMBL2436680 0.81 HPGD (0.65) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL192942 0.79 HPGD (0.77) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4085982 0.79 HPGD (0.51) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL15913974 0.79 MAPT (0.42) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL3339277 0.78 TSHR (0.67) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4097862 0.78 HPGD (0.50) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL14637849 0.75 SMN1; SMN2 (0.47) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL5745620 0.75 HPGD (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 2812/4885PDE2A 1038/4885ALDH1A1 4261/4885

“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.