SCHEMBL8159153

SCHEMBL8159153

CC1CN(C(=O)c2ccc(-c3ccccc3)cc2)CC(C)O1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.78
ALDH1A1 P00352 3/20 0.78
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
NPC1 O15118 1/20 0.65
HSD17B10 Q99714 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.63
TSHR P16473 1/20 0.63
NAMPT P43490 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.57
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
POLB P06746 1/20 0.56
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
SLC6A7 Q99884 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
SCHEMBL29921739 0.90 ALDH1A1 (0.88) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL8763794 0.90 ALDH1A1 (0.88) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL1591508 0.90 ALDH1A1 (0.88) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL15958971 0.85 PLA2G1B (0.67) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3642619 0.84 ALDH1A1 (0.72) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL15172195 0.83 PLA2G1B (0.77) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16907846 0.82 ALDH1A1 (0.71) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL24691415 0.81 NPC1 (0.69) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL12156515 0.81 NPC1 (0.69) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL14817994 0.81 NPC1 (0.69) HPGDALDH1A1KMT2AMEN1NPC1

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 HPGD 3544/4885ALDH1A1 4092/4885KMT2A 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.