SCHEMBL4419121

SCHEMBL4419121

COc1cccc(C#Cc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2OC)c1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SLC6A7 Q99884 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
SCHEMBL4419051 0.92 ALDH1A1 (0.49) ALDH1A1HPGD
SCHEMBL4419055 0.92 SLC6A7 (0.58) SLC6A7
SCHEMBL4429068 0.91 HPGD (0.50) TLR8TLR7HPGD
SCHEMBL4415929 0.90 TLR8 (0.49) TLR8TLR7SLC6A7
SCHEMBL4430450 0.90 TLR8 (0.49) TLR8TLR7ALDH1A1
SCHEMBL4324105 0.89 ALDH1A1 (0.60) ALDH1A1
SCHEMBL4418456 0.88 NAMPT (0.49) TLR8TLR7SLC6A7
SCHEMBL4426562 0.87 ALDH1A1 (0.54) ALDH1A1SLC6A7
SCHEMBL4425035 0.83 ALDH1A1 (0.61) ALDH1A1
SCHEMBL4423747 0.83 ALDH1A1 (0.61) ALDH1A1

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 TLR8 995/4885TLR7 207/4885ALDH1A1 3104/4885

“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.