SCHEMBL4663129

SCHEMBL4663129

O=C(NCCCl)N1CCN2[C@@H](CC[C@H]2C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.41
CHRM4 P08173 2/20 0.39
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
NAMPT P43490 1/20 0.35
EPHX2 P34913 2/20 0.35
CYP3A4 P08684 1/20 0.35
NOTUM Q6P988 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4660532 0.84 GRM5 (0.43) GRM5CYP3A4NOTUMMEN1KMT2A
SCHEMBL4661655 0.84 GRM5 (0.43) GRM5CYP3A4NOTUMMEN1KMT2A
SCHEMBL5485386 0.82 GRM5 (0.55) GRM5CYP3A4
SCHEMBL5487679 0.82 GRM5 (0.55) GRM5CYP3A4
SCHEMBL5478827 0.81 GRM5 (0.53) GRM5KCNH2CYP3A4MEN1KMT2A
SCHEMBL5488717 0.81 GRM5 (0.53) GRM5KCNH2CYP3A4MEN1KMT2A
SCHEMBL14611635 0.79 CHRM4 (0.35) GRM5CHRM4NAMPTCHRM2CHRM1
SCHEMBL4663256 0.78 GRM5 (0.45) GRM5NOTUMKMT2AALDH1A1
SCHEMBL14113895 0.76 NAMPT (0.41) CHRM4CCR2KCNH2NAMPTMEN1
SCHEMBL5485699 0.76 GRM5 (0.52) GRM5KCNH2CYP3A4MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 US claimed
EP-1919915-A2 ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP claimed
WO-2007021575-A2 ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO claimed
US-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US claimed
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 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 (2 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-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists GRM1, GRM5, GRIN1 GRM5 2/4885CHRM4 186/4885CCR2 1160/4885
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists GRM1, GRM5, GRIN1 GRM5 2/4885CHRM4 186/4885CCR2 1160/4885

“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.