SCHEMBL4333478

SCHEMBL4333478

O=C(c1ccc(F)c(C#Cc2ccccn2)c1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TRPA1 O75762 2/20 0.46
MTOR P42345 1/20 0.44
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
HSD11B1 P28845 1/20 0.44
GRM5 P41594 1/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44

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
SCHEMBL4419799 0.91 ALDH1A1 (0.48) ALDH1A1TRPA1
SCHEMBL4315549 0.91 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4324240 0.89 KIT (0.49) ALDH1A1
SCHEMBL4417063 0.88 HSD11B1 (0.53) TRPA1HSD11B1
SCHEMBL4321006 0.86 RBP4 (0.52) ALDH1A1
SCHEMBL4317911 0.86 L3MBTL1 (0.57) ALDH1A1
SCHEMBL4326369 0.86 MALT1 (0.48) TRPA1HSD11B1
SCHEMBL4326491 0.85 MEN1 (0.59) ALDH1A1
SCHEMBL4319884 0.85 ALOX15 (0.48)
SCHEMBL4324392 0.82 KDM4E (0.52) ALDH1A1

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 ALDH1A1 3104/4885TRPA1 1855/4885MTOR 2383/4885

“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.