SCHEMBL8160992

SCHEMBL8160992

O=C(c1ccc(-c2ccc(F)c(F)c2)cc1)N1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
PTPN1 P18031 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GRM5 P41594 1/20 0.51
NTRK1 P04629 1/20 0.48
HTR2B P41595 1/20 0.48
ERN1 O75460 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM1A O60341 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MGLL Q99685 3/20 0.47
GRM3 Q14832 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL8150422 0.88 GRIN2B (0.52) HSD11B1PTPN1KMT2AMEN1GRM5
SCHEMBL8167393 0.85 PAX8 (0.47) HSD11B1PTPN1KMT2AMEN1GRM5
SCHEMBL8160698 0.85 HSD11B1 (0.66) HSD11B1PTPN1KMT2AMEN1GRM5
SCHEMBL8161198 0.85 HSD11B1 (0.51) HSD11B1PTPN1KMT2AMEN1HTR2B
SCHEMBL8155644 0.84 HSD11B1 (0.54) HSD11B1PTPN1KMT2AMEN1GRM5
SCHEMBL13952174 0.83 HSD11B1 (0.57) HSD11B1PTPN1KMT2AMEN1GRM5
SCHEMBL3641036 0.82 GRM5 (0.69) HSD11B1KMT2AMEN1GRM5NTRK1
SCHEMBL8167348 0.81 ERN1 (0.69) KMT2AMEN1ERN1
SCHEMBL8159195 0.80 SMN1; SMN2 (0.70) HSD11B1KMT2AMEN1GRM5HTR2B
SCHEMBL21472163 0.80 GRM5 (0.57) HSD11B1KMT2AMEN1GRM5HSP90AA1

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 HSD11B1 3573/4885PTPN1 1621/4885KMT2A 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.