SCHEMBL4089859

SCHEMBL4089859

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.47
HSD11B1 P28845 8/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.42
POLB P06746 2/20 0.42
MGLL Q99685 1/20 0.42
GAA P10253 1/20 0.42
PAX8 Q06710 1/20 0.41

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
SCHEMBL1970238 0.84 HSD11B1 (0.45) HSD11B1NPC1RAB9AATMARG1
SCHEMBL27777255 0.82 HSD11B1 (0.57) HSD11B1NPC1RAB9AATMKDM4E
SCHEMBL4092578 0.81 HPGD (0.49) PDE2AHSD11B1ATMMEN1ALDH1A1
SCHEMBL25238102 0.78 PDE2A (0.37) PDE2AKDM4EALDH1A1POLBGAA
SCHEMBL28950942 0.75 CYP2C19 (0.37) KDM4EALDH1A1
SCHEMBL192998 0.74 NPC1 (0.60) HSD11B1NPC1RAB9AATMKDM4E
SCHEMBL191835 0.74 NPC1 (0.60) HSD11B1NPC1RAB9AATMKDM4E
SCHEMBL3305635 0.73 HSD11B1 (0.77) HSD11B1KDM4EMEN1ALDH1A1KMT2A
Lithium Ion SCHEMBL1970236 0.72 HSD11B1 (0.44) HSD11B1NPC1RAB9AATMARG1
SCHEMBL1970580 0.71 HSD11B1 (0.44) HSD11B1KDM4EMEN1ALDH1A1KMT2A

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 PDE2A 1038/4885HSD11B1 3461/4885NPC1 3977/4885

“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.