SCHEMBL13601231

SCHEMBL13601231

O=C(c1ccc(Cl)c(-c2ccccn2)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
HSD17B10 Q99714 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 1/20 0.64
HTT P42858 1/20 0.63
HPGD P15428 2/20 0.63
KDM4E B2RXH2 5/20 0.60
MAPK1 P28482 1/20 0.60
SLC6A7 Q99884 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL13601341 0.82 HPGD (0.60) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13117610 0.81 TACR3 (0.52) HPGD
SCHEMBL13601210 0.81 HPGD (0.59) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL13601310 0.81 MEN1 (0.57) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL25229665 0.81 ALDH1A1 (0.72) ALDH1A1HSD17B10SMN1; SMN2LMNAMEN1
SCHEMBL30466121 0.81 ALDH1A1 (0.72) ALDH1A1HSD17B10SMN1; SMN2LMNAMEN1
SCHEMBL13601352 0.79 MEN1 (0.55) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13117439 0.79 HPGD (0.58) ALDH1A1SMN1; SMN2LMNAHTTHPGD
SCHEMBL4319182 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10SMN1; SMN2LMNAMEN1
SCHEMBL4323101 0.78 ALDH1A1 (0.75) ALDH1A1MEN1KMT2APOLBHPGD

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 3104/4885HSD17B10 3322/4885SMN1; SMN2 3956/4885

“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.