SCHEMBL8155102

SCHEMBL8155102

O=C(c1ccc(-c2ccccc2)cc1)N1CCC2CCCCC2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
FASN P49327 2/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 1/20 0.56
MBTD1 Q05BQ5 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
ALDH1A1 P00352 1/20 0.54
POLB P06746 3/20 0.54
MGLL Q99685 2/20 0.53
HSD11B1 P28845 1/20 0.53
CNR2 P34972 4/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SLC6A7 Q99884 1/20 0.51
PTPN2 P17706 1/20 0.51

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
SCHEMBL3643283 0.85 GRM5 (0.65) MBTD1L3MBTL3CNR2NPC1RAB9A
SCHEMBL4739890 0.82 CNR2 (0.60) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL14877179 0.81 SMN1; SMN2 (0.53) HPGDFASNMAPK1SMN1; SMN2MEN1
SCHEMBL10098902 0.81 SMN1; SMN2 (0.62) HPGDFASNMAPK1SMN1; SMN2MEN1
SCHEMBL20067709 0.79 SMN1; SMN2 (0.65) HPGDFASNMAPK1SMN1; SMN2MEN1
SCHEMBL20067667 0.79 SMN1; SMN2 (0.65) HPGDFASNMAPK1SMN1; SMN2MEN1
SCHEMBL2729620 0.78 CHRNB2 (0.59) HPGDFASNMAPK1SMN1; SMN2MEN1
SCHEMBL8163272 0.78 HPGD (0.67) HPGDFASNMAPK1SMN1; SMN2MEN1
SCHEMBL8159195 0.77 SMN1; SMN2 (0.70) HPGDFASNMAPK1SMN1; SMN2MEN1
SCHEMBL6614562 0.76 HPGD (1.00) HPGDFASNMAPK1SMN1; SMN2MEN1

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 3544/4885FASN 2474/4885MAPK1 2368/4885

“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.