SCHEMBL8167393

SCHEMBL8167393

O=C(c1ccc(-c2ccc(F)c(F)c2)cc1)N1CC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ERN1 O75460 1/20 0.44
HSD11B1 P28845 2/20 0.44
PDK2 Q15119 1/20 0.43
SLC6A7 Q99884 2/20 0.43
GRM5 P41594 1/20 0.42
PTPN1 P18031 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.40
MAP2K2 P36507 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
SCHEMBL8160992 0.85 HSD11B1 (0.54) MEN1KMT2AERN1HSD11B1GRM5
SCHEMBL8163302 0.84 PAX8 (0.62) PAX8MEN1KMT2AHSD11B1SLC6A7
SCHEMBL8160986 0.82 GRM5 (0.54) PAX8MEN1KMT2AHSD11B1SLC6A7
SCHEMBL3636101 0.81 GRM5 (0.50) MEN1KMT2AHSD11B1PDK2GRM5
SCHEMBL8158994 0.79 HPGD (0.64) MEN1KMT2AHSD11B1SLC6A7HPGD
SCHEMBL30937118 0.79 HSD11B1 (0.56) PAX8MEN1KMT2AHSD11B1KDM4E
SCHEMBL8162126 0.78 PDE4B (0.53) PAX8PDK2ALOX5APFEN1HPGD
SCHEMBL8167348 0.78 ERN1 (0.69) MEN1KMT2AERN1HPGDPDE4B
SCHEMBL8161198 0.76 HSD11B1 (0.51) MEN1KMT2AERN1HSD11B1PTPN1
SCHEMBL20335412 0.75 HPGD (0.61) KMT2AHSD11B1CES2CES1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 PAX8 3517/4885MEN1 4556/4885KMT2A 904/4885

“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.