SCHEMBL4425009

SCHEMBL4425009

COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCc1cccc(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 3/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 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
SCHEMBL4415967 0.88 CDK5 (0.67) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4419719 0.88 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4426689 0.88 HPGD (0.65) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4419057 0.87 ALDH1A1 (0.73) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4423432 0.87 ALDH1A1 (0.63) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4421888 0.87 ALDH1A1 (0.63) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4428401 0.86 MEN1 (0.65) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4416774 0.83 MEN1 (0.64) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4419632 0.78 MEN1 (0.67) ALDH1A1TSHRLMNAHTTMAPT
SCHEMBL4422037 0.77 ALDH1A1 (0.60) ALDH1A1TSHRCDK5CDK5R1KDM4E

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 3104/4885TSHR 194/4885LMNA 4354/4885

“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.