SCHEMBL5483071

SCHEMBL5483071

CC(OS(C)(=O)=O)c1cn(-c2cc(Cl)ccc2F)nn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
RXRA P19793 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2B Q13224 7/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
NOTUM Q6P988 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
F11 P03951 2/20 0.34
KLKB1 P03952 2/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL5116625 0.81 NOTUM (0.47) RXRAGRIN1GRIN2BNOTUM
SCHEMBL5128529 0.78 NOTUM (0.54) RXRAGRIN1GRIN2BCYP1A2CYP3A4
SCHEMBL5126332 0.78 CYP3A4 (0.39) NR1I2RXRAGRIN1GRIN2BCYP1A2
SCHEMBL2896047 0.76 GRM5 (0.34) CYP3A4CYP2C9CYP2C19
SCHEMBL20303483 0.73 PSEN1 (0.44) CYP3A4
SCHEMBL14614530 0.72 RXRA (0.30) RXRAGRIN1GRIN2B
SCHEMBL28680852 0.72 CYP3A4 (0.41) CYP3A4
SCHEMBL1544638 0.68 GRM5 (0.33) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL15054088 0.66 TP53 (0.38)
SCHEMBL18263511 0.65 APLNR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037820-A1 Substituted 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-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists GRM5, GRM1, GRM2 NR1I2 175/4885RXRA 882/4885GRIN1 4/4885
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM2 NR1I2 175/4885RXRA 882/4885GRIN1 4/4885

“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.