SCHEMBL4953802

SCHEMBL4953802

COc1c(F)cc(Br)c(C#N)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
GPR35 Q9HC97 2/20 0.33
RECQL P46063 1/20 0.31
PIM1 P11309 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SQOR Q9Y6N5 3/20 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
SCHEMBL31511101 0.82 TRPV4 (0.38) CA2CA4TRPV4GPR35PIM1
SCHEMBL31432586 0.77 CA2 (0.41) CA2CA4TRPV4GPR35RECQL
SCHEMBL5208683 0.77 CA2 (0.41) CA2CA4
SCHEMBL31050870 0.76 POLB (0.38) PIM1MEN1KMT2ASQOR
SCHEMBL31050871 0.76 POLB (0.38) PIM1MEN1KMT2ASQOR
SCHEMBL4953270 0.76 AKR1B1 (0.40)
SCHEMBL31432600 0.74 TRPV4 (0.37) CA2CA4TRPV4GPR35RECQL
SCHEMBL31063597 0.73 AKR1B1 (0.35) CA2CA4GPR35PIM1
SCHEMBL27628234 0.73 CA2 (0.39) CA2CA4
SCHEMBL14720070 0.73 ALOX5AP (0.36) CA2CA4TRPV4GPR35PIM1

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
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 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 (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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 CA2 625/4885CA4 4126/4885TRPV4 880/4885

“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.