SCHEMBL4423124

SCHEMBL4423124

Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
KDM4E B2RXH2 2/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL4419702 0.94 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4417070 0.92 HPGD (0.69) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4422990 0.91 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4428341 0.91 HPGD (0.59) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4429444 0.91 KDM4E (0.69) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4422956 0.91 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4424685 0.90 ALDH1A1 (0.66) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4425289 0.90 HPGD (0.58) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4419054 0.90 HPGD (0.58) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4423741 0.90 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHPGD

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.