SCHEMBL4422744

SCHEMBL4422744

Cc1cccc(N2CCN(C(=O)c3cccc(C#Cc4ccccc4)c3)CC2)n1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
GBA1 P04062 2/20 0.52

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
SCHEMBL4315393 0.89 GRM5 (0.47) GBA1
SCHEMBL4422024 0.89 HPGD (0.58) HPGD
SCHEMBL4324333 0.88 HPGD (0.52) HPGD
SCHEMBL4418436 0.87
SCHEMBL4424605 0.85 GBA1 (0.61) GBA1
SCHEMBL4321986 0.84 MEN1 (0.69) HPGD
SCHEMBL4415241 0.82 HPGD (0.64) HPGD
SCHEMBL4429452 0.81 HPGD (0.72) HPGD
SCHEMBL4417103 0.81 MAPT (0.61)
SCHEMBL4417079 0.80 TSHR (0.76) HPGD

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 2657/4885GBA1 1803/4885

“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.