SCHEMBL2889722

SCHEMBL2889722

OC(c1ccccc1)C(O)c1nnn(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNMA1 Q12791 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL2895033 0.86 RAB9A (0.35) SLC6A2SLC6A3CYP2D6CYP3A4SLC6A4
SCHEMBL2889889 0.80 KCNH2 (0.33) KCNH2KCNMA1SMN1; SMN2
SCHEMBL2895684 0.80 PKM (0.43) CYP2D6CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL5750726 0.72 PKM (0.37) CYP2D6CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL2895689 0.70 NOTUM (0.42) CYP3A4KMT2AKCNMA1KDM4E
SCHEMBL2892918 0.69 GRM5 (0.34) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2889384 0.67 RXRA (0.36) GAACYP1A2LMNAKDM4E
SCHEMBL2889532 0.67 GRM5 (0.51) KDM4E
SCHEMBL2893297 0.66 ALDH1A1 (0.35) LMNAKDM4E
SCHEMBL6874895 0.64 SLC6A2 (0.59) GAASLC6A2SLC6A3CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 3102/4885SLC6A2 548/4885SLC6A3 303/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GAA 3192/4885SLC6A2 532/4885SLC6A3 291/4885

“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.