SCHEMBL8157501

SCHEMBL8157501

O=C(c1ccc(-c2ccccc2)cc1)N1CCC(CO)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
HPGD P15428 2/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.60
HTR2B P41595 3/20 0.60
FASN P49327 1/20 0.59
MGLL Q99685 2/20 0.59
HSD11B1 P28845 1/20 0.59
POLB P06746 4/20 0.59
HTR1A P08908 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
SLC6A7 Q99884 1/20 0.57

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
SCHEMBL3459209 0.91 ACHE (0.65) HPGDMEN1KMT2AMGLLHSD11B1
SCHEMBL24628704 0.88 MGLL (0.52) SMN1; SMN2HPGDMAPK1LMNAMEN1
SCHEMBL8166304 0.87 HSD11B1 (0.61) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL7238728 0.85 HTT (0.70) SMN1; SMN2HPGDMAPK1HTR2BHTR1A
SCHEMBL13952158 0.85 HSD11B1 (0.54) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL8168302 0.85 PDE4B (0.57) SMN1; SMN2LMNAALDH1A1HTR2BHSD11B1
SCHEMBL3637213 0.84 GRM5 (0.72) MAPK1LMNA
SCHEMBL8159195 0.83 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMAPK1LMNAMEN1
SCHEMBL8161198 0.82 HSD11B1 (0.51) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL13597142 0.82 HDAC3 (0.58) SMN1; SMN2HPGDMAPK1LMNAMEN1

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 SMN1; SMN2 2385/4885HPGD 3544/4885MAPK1 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.