SCHEMBL8166304

SCHEMBL8166304

O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(CO)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.61
HTR2B P41595 2/20 0.61
PTPN1 P18031 1/20 0.60
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SLC6A7 Q99884 2/20 0.53
MGLL Q99685 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3977616 0.95 HSD11B1 (0.65) HSD11B1HTR2BPTPN1KDM4EMEN1
SCHEMBL3638448 0.87 HSD11B1 (0.56) HSD11B1KDM4EMEN1KMT2AALDH1A1
SCHEMBL13952158 0.87 HSD11B1 (0.54) HSD11B1HTR2BPTPN1MEN1KMT2A
SCHEMBL24628704 0.87 MGLL (0.52) HTR2BMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8157501 0.87 SMN1; SMN2 (0.65) HSD11B1HTR2BMEN1KMT2AALDH1A1
SCHEMBL8161198 0.86 HSD11B1 (0.51) HSD11B1HTR2BPTPN1MEN1KMT2A
SCHEMBL8168302 0.83 PDE4B (0.57) HSD11B1HTR2BALDH1A1L3MBTL1LMNA
SCHEMBL8160698 0.83 HSD11B1 (0.66) HSD11B1HTR2BPTPN1KDM4EMEN1
SCHEMBL22875343 0.82 HSD11B1 (0.63) HSD11B1HTR2BKDM4EMEN1KMT2A
SCHEMBL3501319 0.81 HSD11B1 (0.61) HSD11B1HTR2BKDM4EMEN1KMT2A

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 3573/4885HTR2B 84/4885PTPN1 1621/4885

“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.