SCHEMBL4315533

SCHEMBL4315533

O=C(c1ccc(OCC2CC2)c(C#Cc2ccccn2)c1)N1CCN(c2noc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.39
MGLL Q99685 2/20 0.38
TACR2 P21452 2/20 0.38
TACR1 P25103 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL4322017 0.90 ALOX15 (0.46) SORDMGLL
SCHEMBL4321359 0.88 ALDH1A1 (0.45)
SCHEMBL4323177 0.86 MGLL (0.43) SORDMGLL
SCHEMBL4315447 0.86 KDM4E (0.42) SORD
SCHEMBL4319434 0.85 KDM4E (0.48)
SCHEMBL4319840 0.84 MEN1 (0.52)
SCHEMBL4320933 0.84 SORD (0.41) SORDMGLLTACR2TACR1
SCHEMBL4312060 0.84 KIT (0.44) SORD
SCHEMBL4312067 0.82 HSD11B1 (0.46) SORDMGLL
SCHEMBL3410196 0.79 PTGDR2 (0.45) TACR2TACR1PTGDR2

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 SORD 3737/4885MGLL 2650/4885TACR2 1032/4885

“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.