SCHEMBL4425302

SCHEMBL4425302

Cc1cccc(COc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.73
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 2/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 1/20 0.56
MAOB P27338 1/20 0.55

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
SCHEMBL4419755 0.96 HPGD (0.73) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4321888 0.91 MEN1 (0.78) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4419632 0.90 MEN1 (0.67) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4325881 0.89 MEN1 (0.74) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4428098 0.88 ALDH1A1 (0.65) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4413759 0.88 ALDH1A1 (0.73) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4413778 0.88 MEN1 (0.67) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4425134 0.88 MEN1 (0.67) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4426534 0.88 ALDH1A1 (0.65) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL4428401 0.87 MEN1 (0.65) HPGDKMT2AMEN1ALDH1A1LMNA

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 2657/4885KMT2A 887/4885MEN1 4398/4885

“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.