SCHEMBL4986769

SCHEMBL4986769

Nc1ncnc2c1CCN(S(=O)(=O)Cc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
EGLN1 Q9GZT9 2/20 0.39
RPS6KB1 P23443 2/20 0.39
TRPV1 Q8NER1 5/20 0.38
KIF11 P52732 1/20 0.38
HSD11B1 P28845 1/20 0.38
GPR142 Q7Z601 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
CNR2 P34972 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL4989423 0.89 GPR142 (0.47) SCN9ATRPV1GPR142GPR52
SCHEMBL4988108 0.88 GPR183 (0.36) EGLN1RPS6KB1CNR2
SCHEMBL4988794 0.86 TSHR (0.47) HSD11B1CNR2
SCHEMBL5142651 0.85 CNR2 (0.37) CNR2
SCHEMBL4982513 0.85 L3MBTL1 (0.46) EGLN1RPS6KB1CNR2
SCHEMBL4987934 0.83 HSD11B1 (0.45) SCN9ATRPV1HSD11B1
SCHEMBL4983580 0.80 LPAR1 (0.39)
SCHEMBL4985526 0.78 NPC1 (0.40) SCN9A
SCHEMBL4983036 0.78 RPS6KB1 (0.49) RPS6KB1
SCHEMBL4982880 0.78 L3MBTL1 (0.42) SCN9ATRPV1HSD11B1

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 SCN9A 2164/4885EGLN1 1825/4885RPS6KB1 710/4885

“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.