SCHEMBL4429068

SCHEMBL4429068

COc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1C#Cc1cccc(C)c1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
TLR8 Q9NR97 1/20 0.50
TLR7 Q9NYK1 1/20 0.50

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
SCHEMBL4419055 0.92 SLC6A7 (0.58)
SCHEMBL4419121 0.91 TLR8 (0.50) HPGDTLR8TLR7
SCHEMBL4415929 0.90 TLR8 (0.49) TLR8TLR7
SCHEMBL4430450 0.90 TLR8 (0.49) TLR8TLR7
SCHEMBL4422706 0.90 HPGD (0.53) HPGD
SCHEMBL4413960 0.89 HPGD (0.65) HPGD
SCHEMBL4418456 0.88 NAMPT (0.49) TLR8TLR7
SCHEMBL4419051 0.85 ALDH1A1 (0.49) HPGD
SCHEMBL4426562 0.85 ALDH1A1 (0.54)
SCHEMBL4428408 0.85 ALDH1A1 (0.52)

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 2657/4885TLR8 995/4885TLR7 207/4885

“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.