SCHEMBL4428366

SCHEMBL4428366

O=C(c1cccc(COc2cccc(Br)c2)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 3/20 0.65
HTT P42858 3/20 0.65
MAPT P10636 2/20 0.65
TSHR P16473 2/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HPGD P15428 2/20 0.58
POLB P06746 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
PARP1 P09874 2/20 0.54
KDM4E B2RXH2 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL4425134 0.96 MEN1 (0.67) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4325881 0.91 MEN1 (0.74) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4321888 0.89 MEN1 (0.78) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4415277 0.88 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4419755 0.88 HPGD (0.73) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4426534 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4428098 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4419632 0.86 MEN1 (0.67) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4413778 0.86 MEN1 (0.67) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4413759 0.86 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNAHTTMAPT

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 3104/4885SMN1; SMN2 3956/4885LMNA 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.