SCHEMBL13611770

SCHEMBL13611770

CCOC(=O)c1c(-c2ccc(-c3ccccc3C)cc2)c(C#N)c(Br)n1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 14/20 0.60
GRIA2 P42262 12/20 0.60
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4377898 0.91 GRIA4 (0.59) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8287328 0.90 GRIA4 (0.57) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8287321 0.90 GRIA4 (0.59) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8288356 0.89 GRIA4 (0.60) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8287317 0.89 GRIA4 (0.72) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8287331 0.88 GRIA4 (0.61) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8289342 0.87 GRIA4 (0.78) GRIA4GRIA2
SCHEMBL8288393 0.87 GRIA4 (0.60) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL4373116 0.87 GRIA4 (0.57) GRIA4GRIA2ALDH1A1KDM4EHTT
SCHEMBL8288359 0.85 GRIA4 (0.58) GRIA4GRIA2ALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 GRIA4 16/4885GRIA2 17/4885ALDH1A1 2211/4885

“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.