SCHEMBL8154101

SCHEMBL8154101

O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 6/20 1.00
ALDH1A1 P00352 6/20 1.00
MAPK1 P28482 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
KDM4E B2RXH2 4/20 0.76
TSHR P16473 3/20 0.75
SETD7 Q8WTS6 1/20 0.69
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
POLB P06746 2/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 2/20 0.63
GAA P10253 1/20 0.63
HPGD P15428 1/20 0.63

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
SCHEMBL3579131 0.91 SLC6A7 (0.83) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3580034 0.91 KDM4E (0.92) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL13601160 0.88 ALDH1A1 (0.79) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3578857 0.88 SLC6A7 (0.78) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3582024 0.87 SLC6A7 (0.77) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3582926 0.87 SLC6A7 (0.77) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL34468359 0.87 ALDH1A1 (0.78) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL15703668 0.86 ALDH1A1 (0.76) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL95027 0.86 ALDH1A1 (0.76) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL12082726 0.86 KDM4E (1.00) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E

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 SLC6A7 633/4885ALDH1A1 4092/4885MAPK1 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.