SCHEMBL4320933

SCHEMBL4320933

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.41
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL4312060 0.90 KIT (0.44) SORDMEN1KMT2AKDM4EALDH1A1
SCHEMBL4312067 0.89 HSD11B1 (0.46) SORDPOLBMGLL
SCHEMBL4321359 0.87 ALDH1A1 (0.45) ALDH1A1
SCHEMBL4315447 0.87 KDM4E (0.42) SORDKDM4EALDH1A1
SCHEMBL4323177 0.87 MGLL (0.43) SORDMGLL
SCHEMBL4322017 0.86 ALOX15 (0.46) SORDMEN1KMT2AMGLL
SCHEMBL4315533 0.84 SORD (0.39) SORDTACR2TACR1MGLL
SCHEMBL4317911 0.83 L3MBTL1 (0.57) KDM4EALDH1A1
SCHEMBL4326491 0.82 MEN1 (0.59) MEN1POLBKMT2AKDM4EALDH1A1
SCHEMBL4333478 0.82 ALDH1A1 (0.46) TACR2TACR1GRM5ALDH1A1

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 3737/4885TACR2 1032/4885TACR1 1060/4885

“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.