SCHEMBL4324263

SCHEMBL4324263

O=C(c1ccc(Cl)c(C#Cc2ccccn2)c1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL4314270 0.89 KDM4E (0.56) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL4319182 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4323113 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4419799 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4319203 0.85 SLC6A7 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4317237 0.85 F10 (0.51) ALDH1A1
SCHEMBL4426598 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL4328423 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4328345 0.84 KMT2A (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4331069 0.83 SLC6A7 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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 3 patents. 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 claimed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO claimed
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 AKR1C3 4789/4885ALDH1A1 3104/4885SMN1; SMN2 3956/4885

“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.