SCHEMBL4430124

SCHEMBL4430124

Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#CCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.59
KDM4E B2RXH2 2/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.55
SLC6A7 Q99884 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53

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
SCHEMBL4420180 0.90 SLC6A7 (0.58) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4423901 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EHPGD
SCHEMBL4423124 0.87 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4422956 0.86 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4429444 0.86 KDM4E (0.69) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4415954 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4419702 0.83 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4422697 0.83 MEN1 (0.62) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL4417070 0.82 HPGD (0.69) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4423741 0.82 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHPGDMEN1

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 3104/4885LMNA 4354/4885KDM4E 1411/4885

“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.