SCHEMBL4417512

SCHEMBL4417512

COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1cc(C)ccc1C

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.59
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59

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
SCHEMBL4429444 0.92 KDM4E (0.69) ALDH1A1KDM4EHPGD
SCHEMBL4425143 0.91 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDCDK5CDK5R1
SCHEMBL4413960 0.89 HPGD (0.65) ALDH1A1HPGDCDK5CDK5R1
SCHEMBL4426358 0.87 ALDH1A1 (0.64) ALDH1A1CDK5CDK5R1
SCHEMBL4320875 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDCDK5CDK5R1
SCHEMBL4417070 0.86 HPGD (0.69) ALDH1A1KDM4EHPGD
SCHEMBL4426557 0.85 ALDH1A1 (0.62) ALDH1A1CDK5CDK5R1
SCHEMBL4419674 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ECDK5CDK5R1
SCHEMBL4317999 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDCDK5CDK5R1
SCHEMBL4413953 0.85

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 3104/4885KDM4E 1411/4885HPGD 2657/4885

“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.