SCHEMBL4423747

SCHEMBL4423747

COc1cc(C#Cc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2OC)cc(OC)c1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60

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
SCHEMBL4324105 0.94 ALDH1A1 (0.60) ALDH1A1
SCHEMBL4426358 0.92 ALDH1A1 (0.64) ALDH1A1CDK5CDK5R1
SCHEMBL4422924 0.91 ALDH1A1 (0.56) ALDH1A1
SCHEMBL4424578 0.90 ALDH1A1 (0.60) ALDH1A1CDK5CDK5R1
SCHEMBL4426557 0.90 ALDH1A1 (0.62) ALDH1A1CDK5CDK5R1
SCHEMBL4320875 0.90 ALDH1A1 (0.64) ALDH1A1CDK5CDK5R1
SCHEMBL4422037 0.88 ALDH1A1 (0.60) ALDH1A1CDK5CDK5R1
SCHEMBL4413960 0.88 HPGD (0.65) ALDH1A1CDK5CDK5R1
SCHEMBL4420161 0.88 ALDH1A1 (0.57) ALDH1A1CDK5CDK5R1
SCHEMBL4425035 0.87 ALDH1A1 (0.61) ALDH1A1CDK5CDK5R1

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 3104/4885CDK5 288/4885CDK5R1 261/4885

“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.