SCHEMBL8167348

SCHEMBL8167348

O=C(c1ccc(-c2ccc(F)c(F)c2)cc1)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.69
PHGDH O43175 1/20 0.60
HPGD P15428 4/20 0.57
PDE4B Q07343 1/20 0.55
JAK2 O60674 2/20 0.55
AKR1C3 P42330 1/20 0.55
EPHX2 P34913 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
PKM P14618 1/20 0.52
MLYCD O95822 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL8172365 0.84 EPHX2 (0.71) ERN1PHGDHHPGDAKR1C3EPHX2
SCHEMBL13952065 0.83 HPGD (0.65) ERN1PHGDHHPGDJAK2EPHX2
SCHEMBL12768143 0.82 ERN1 (1.00) ERN1PHGDHHPGDAKR1C3
SCHEMBL3637719 0.82 PHGDH (0.56) ERN1PHGDHHPGDAKR1C3EPHX2
SCHEMBL8160992 0.81 HSD11B1 (0.54) ERN1MEN1KMT2A
SCHEMBL16592967 0.81 ERN1 (0.60) ERN1PHGDHHPGDAKR1C3EPHX2
SCHEMBL29119970 0.81 ERN1 (0.54) ERN1PHGDHHPGDJAK2AKR1C3
SCHEMBL10720943 0.80 PHGDH (0.81) PHGDHHPGDAKR1C3EPHX2KMT2A
SCHEMBL149035 0.80 TYK2 (0.53) ERN1PHGDHHPGDPDE4BJAK2
SCHEMBL8150805 0.80 HPGD (0.76) PHGDHHPGDMEN1KMT2AMAPT

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 ERN1 3534/4885PHGDH 787/4885HPGD 3544/4885

“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.