SCHEMBL4322017

SCHEMBL4322017

CCOc1ccc(C(=O)N2CCN(c3noc4ccccc34)CC2)cc1C#Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
MGLL Q99685 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SORD Q00796 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4321359 0.92 ALDH1A1 (0.45) TSHR
SCHEMBL4315533 0.90 SORD (0.39) MGLLSORD
SCHEMBL4315447 0.88 KDM4E (0.42) SORD
SCHEMBL4323177 0.88 MGLL (0.43) MGLLSORD
SCHEMBL4312060 0.88 KIT (0.44) SORDMEN1TSHRKMT2A
SCHEMBL4320933 0.86 SORD (0.41) MGLLSORDMEN1KMT2A
SCHEMBL4317938 0.84 ALDH1A1 (0.55) MEN1KMT2A
SCHEMBL4312067 0.84 HSD11B1 (0.46) MGLLSORD
SCHEMBL4319884 0.83 ALOX15 (0.48) ALOX15MGLLSMN1; SMN2
SCHEMBL4321247 0.81 ALOX15 (0.46) ALOX15MGLLSMN1; 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 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 ALOX15 3247/4885MGLL 2650/4885SMN1; 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.