SCHEMBL4178227

SCHEMBL4178227

Fc1cc(F)cc(OCC2CCCC[N]2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CTSB P07858 2/20 0.33
CTSV O60911 1/20 0.33
PLAT P00750 1/20 0.33
CTSL P07711 1/20 0.33
CTSH P09668 1/20 0.33
CTSS P25774 1/20 0.33
CASP14 P31944 1/20 0.33
CTSK P43235 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
CASP6 P55212 1/20 0.33
CTSZ Q9UBR2 1/20 0.33
LTA4H P09960 1/20 0.33
EPAS1 Q99814 1/20 0.31

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
SCHEMBL3163550 0.84 LTA4H (0.48) LTA4H
SCHEMBL3154472 0.77 TDP1 (0.44) LTA4H
SCHEMBL12077349 0.71 KAT6A (0.46)
SCHEMBL3160187 0.71 SLC6A2 (0.42)
SCHEMBL5545285 0.69 TDP1 (0.47) CHRNB2
SCHEMBL5535778 0.69 GRIN2B (0.40) LTA4H
SCHEMBL5048690 0.66 LTA4H (0.55) CHRNB2LTA4H
SCHEMBL4577525 0.66 LTA4H (0.55) CHRNB2LTA4H
SCHEMBL4577709 0.66 LTA4H (0.55) CHRNB2LTA4H
SCHEMBL9241900 0.66 LTA4H (0.60) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 CHRNB2 469/4885CHRNA4 340/4885CTSB 2663/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CHRNB2 469/4885CHRNA4 340/4885CTSB 2663/4885

“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.