SCHEMBL4415967

SCHEMBL4415967

COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.67
CDK5R1 Q15078 1/20 0.67
ALDH1A1 P00352 7/20 0.66
KDM4E B2RXH2 5/20 0.66
TSHR P16473 3/20 0.66
LMNA P02545 3/20 0.66
HTT P42858 3/20 0.66
MAPK1 P28482 2/20 0.66
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 3/20 0.61
HPGD P15428 2/20 0.61
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP1A2 P05177 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TLR7 Q9NYK1 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL4426689 0.92 HPGD (0.65) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4419719 0.92 ALDH1A1 (0.64) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4421888 0.91 ALDH1A1 (0.63) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4423432 0.91 ALDH1A1 (0.63) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4419057 0.91 ALDH1A1 (0.73) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4425009 0.88 ALDH1A1 (0.60) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL1026312 0.83 ALDH1A1 (0.61) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4423901 0.83 ALDH1A1 (0.61) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4312135 0.82 ALDH1A1 (0.71) CDK5CDK5R1ALDH1A1KDM4ETSHR
SCHEMBL4321888 0.81 MEN1 (0.78) ALDH1A1KDM4ETSHRLMNAHTT

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 CDK5 288/4885CDK5R1 261/4885ALDH1A1 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.