SCHEMBL4428401

SCHEMBL4428401

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
MAPT P10636 2/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.54
GRM5 P41594 1/20 0.52
SLC6A7 Q99884 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX12 P18054 1/20 0.52
NAMPT P43490 1/20 0.51

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
SCHEMBL4416774 0.97 MEN1 (0.64) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4325881 0.89 MEN1 (0.74) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4321888 0.89 MEN1 (0.78) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4413759 0.87 ALDH1A1 (0.73) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4419632 0.87 MEN1 (0.67) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4425302 0.87 HPGD (0.73) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4413778 0.87 MEN1 (0.67) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4425134 0.87 MEN1 (0.67) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4425009 0.86 ALDH1A1 (0.60) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4428098 0.85 ALDH1A1 (0.65) MEN1KMT2AALDH1A1LMNAHTT

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 MEN1 4398/4885KMT2A 887/4885ALDH1A1 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.