SCHEMBL4413778

SCHEMBL4413778

O=C(c1cccc(OCc2cccc(F)c2)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 7/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
TSHR P16473 4/20 0.62
LMNA P02545 3/20 0.62
HTT P42858 3/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 4/20 0.61
CYP3A4 P08684 3/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 3/20 0.57
POLB P06746 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NR4A2 P43354 1/20 0.55
MAOB P27338 1/20 0.54

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
SCHEMBL4321888 0.91 MEN1 (0.78) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4325881 0.89 MEN1 (0.74) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4425302 0.88 HPGD (0.73) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4413759 0.88 ALDH1A1 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4425134 0.88 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4419632 0.88 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4428401 0.87 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4415277 0.86 ALDH1A1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4428098 0.86 ALDH1A1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4428366 0.86 ALDH1A1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2TSHR

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.