SCHEMBL13601341

SCHEMBL13601341

CCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1-c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
ALOX15 P16050 1/20 0.56
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
MAPK1 P28482 1/20 0.55
SLC6A7 Q99884 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL13601352 0.87 MEN1 (0.55) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL13601210 0.85 HPGD (0.59) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL13601310 0.85 MEN1 (0.57) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL13601231 0.82 ALDH1A1 (0.69) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL13117613 0.81 LMNA (0.55) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL4317938 0.81 ALDH1A1 (0.55) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL13601358 0.80 ALDH1A1 (0.64) HPGDALDH1A1KDM4ECDK5CDK5R1
SCHEMBL13117411 0.78 TP53 (0.55) POLBKDM4ELMNAMAPTTSHR
SCHEMBL14030246 0.77 HPGD (0.72) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL4312135 0.77 ALDH1A1 (0.71) HPGDMEN1KMT2APOLBALDH1A1

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 HPGD 2657/4885MEN1 4398/4885KMT2A 887/4885

“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.