SCHEMBL13601160

SCHEMBL13601160

O=C(c1cccc(-c2ccccc2)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.79
SLC6A7 Q99884 2/20 0.79
MAPK1 P28482 2/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
HPGD P15428 1/20 0.73
POLB P06746 1/20 0.67
KDM4E B2RXH2 3/20 0.65
LMNA P02545 2/20 0.65
TSHR P16473 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65

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
SCHEMBL8154101 0.88 SLC6A7 (1.00) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL15703728 0.87 ALDH1A1 (0.61) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL4323101 0.86 ALDH1A1 (0.75) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL24288982 0.85 ALDH1A1 (0.73) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL3578857 0.84 SLC6A7 (0.78) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL4321986 0.84 MEN1 (0.69) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL3587128 0.82 SLC6A7 (0.78) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL14005561 0.81 HPGD (0.72) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL4328329 0.81 ALDH1A1 (0.72) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1
SCHEMBL4321235 0.81 ALDH1A1 (0.69) ALDH1A1SLC6A7MAPK1L3MBTL1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 ALDH1A1 3104/4885SLC6A7 234/4885MAPK1 1370/4885

“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.