SCHEMBL2889476

SCHEMBL2889476

CCOC(=O)N1CCN(C(C)c2nnn(-c3cccc(Cl)c3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
KCNH2 Q12809 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2889444 1.00 GRM5 (0.45) GRM5CHRM2CHRM1KCNH2CYP3A4
SCHEMBL2889474 1.00 GRM5 (0.45) GRM5CHRM2CHRM1KCNH2CYP3A4
SCHEMBL27648754 0.86 GRM5 (0.44) GRM5MAPK1MEN1KMT2ANPSR1
SCHEMBL2892874 0.84 KMT2A (0.45) CHRM2CHRM1KCNH2ALDH1A1MAPT
SCHEMBL2897775 0.84 KMT2A (0.45) CHRM2CHRM1KCNH2ALDH1A1MAPT
SCHEMBL2892876 0.84 KMT2A (0.45) CHRM2CHRM1KCNH2ALDH1A1MAPT
SCHEMBL5754386 0.82 MAPK1 (0.41) GRM5KCNH2ALDH1A1MAPTMAPK1
SCHEMBL2898193 0.80 KCNH2 (0.53) GRM5KCNH2CYP3A4ALDH1A1MAPT
SCHEMBL5739242 0.78 MAPK1 (0.48) GRM5CHRM1KCNH2CYP3A4ALDH1A1
SCHEMBL5958656 0.74 KCNH2 (0.57) GRM5CHRM2CHRM1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US claimed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US claimed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US claimed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO claimed
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885CHRM2 90/4885CHRM1 48/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885CHRM2 87/4885CHRM1 46/4885

“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.