SCHEMBL8166343

SCHEMBL8166343

COc1ccccc1N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
POLB P06746 2/20 1.00
LMNA P02545 4/20 0.73
TSHR P16473 3/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
DRD2 P14416 1/20 0.70
HTR2A P28223 1/20 0.70
HTT P42858 2/20 0.68
PKM P14618 1/20 0.68
ALDH1A1 P00352 5/20 0.66
GAA P10253 1/20 0.66
HTR1A P08908 1/20 0.65
MAPT P10636 3/20 0.65
RECQL P46063 1/20 0.65
KDM4E B2RXH2 1/20 0.65
NAMPT P43490 1/20 0.64
REV1 Q9UBZ9 1/20 0.64

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
SCHEMBL9653806 0.92 MEN1 (0.85) MEN1KMT2APOLBLMNATSHR
SCHEMBL22422444 0.88 MEN1 (0.79) MEN1KMT2APOLBLMNATSHR
SCHEMBL3781244 0.87 POLB (0.77) MEN1KMT2APOLBLMNATSHR
SCHEMBL94799 0.87 MEN1 (0.77) MEN1KMT2APOLBLMNATSHR
SCHEMBL3644160 0.86 MEN1 (0.76) MEN1KMT2APOLBLMNATSHR
SCHEMBL28217164 0.85 MEN1 (0.72) MEN1KMT2APOLBLMNATSHR
SCHEMBL27856236 0.84 MEN1 (0.73) MEN1KMT2APOLBLMNATSHR
SCHEMBL19562174 0.84 POLB (0.72) MEN1KMT2APOLBLMNATSHR
SCHEMBL30013271 0.82 MEN1 (0.68) MEN1KMT2APOLBLMNATSHR
SCHEMBL28014903 0.82 MEN1 (0.69) MEN1KMT2APOLBLMNATSHR

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 MEN1 4556/4885KMT2A 904/4885POLB 4308/4885

“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.