SCHEMBL486085

SCHEMBL486085

CC(C)(C)n1nccc1-c1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.39
SCN9A Q15858 5/20 0.38
MAPK14 Q16539 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
AKT1 P31749 1/20 0.30
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 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
SCHEMBL12869875 0.85 SCN9A (0.38) DRD1SCN9A
SCHEMBL19205767 0.71 DRD1 (0.47) DRD1SCN9AMAPK14KDM5AKDM4C
SCHEMBL25144315 0.71 SCN9A (0.42) DRD1SCN9A
SCHEMBL20843895 0.69 DRD1 (0.31) DRD1
SCHEMBL20548183 0.68 SCN9A (0.37) DRD1SCN9A
SCHEMBL12869812 0.68 DRD1 (0.39) DRD1SCN9A
SCHEMBL13045975 0.67 DRD1 (0.46) DRD1KDM5AKDM4CKDM5B
SCHEMBL21858863 0.67 CYP17A1 (0.40) DRD1KDM4AKDM4C
SCHEMBL486116 0.67 FFAR1 (0.31)
SCHEMBL4476413 0.66 DRD1 (0.48) DRD1MAPK14KDM4AKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411388-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2012-02-01 EP disclosed
US-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides ELAN PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides ELAN PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides ELAN PHARMACEUTICALS, INC. 2011-02-10 US disclosed
WO-2010111418-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111418-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2010-09-30 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-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides CBR3, DRD4, SBDS DRD1 10/4885SCN9A 1991/4885MAPK14 2031/4885

“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.