SCHEMBL7839622

SCHEMBL7839622

CC(C)N1CC2CCC(C1)N2C(=O)CN(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 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
SCHEMBL8374382 0.81 JAK2 (0.32)
SCHEMBL20009059 0.79 GRM5 (0.35) HRH3CYP2D6KCNH2HSD17B10MAPT
SCHEMBL18390923 0.77 CCR2 (0.35) HRH3CYP2D6KCNH2
SCHEMBL24491709 0.77 MAPT (0.30) MAPT
SCHEMBL16132851 0.75 TLR9 (0.38) TLR9TLR8TLR7HRH3CYP2D6
SCHEMBL7851978 0.75 CHRM1 (0.43)
SCHEMBL20008986 0.74 SMN1; SMN2 (0.37) HRH3CYP2D6KCNH2
SCHEMBL21722669 0.74 HRH3 (0.33) HRH3CYP2D6KCNH2MAPT
SCHEMBL18375130 0.74 SMN1; SMN2 (0.37) HRH3CYP2D6KCNH2
SCHEMBL7848049 0.73 TLR9 (0.34) TLR9TLR8TLR7HRH3CYP2D6

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-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-7763613-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-15 US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 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-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP TLR9 3661/4885TLR8 3140/4885TLR7 3875/4885
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP TLR9 3666/4885TLR8 3168/4885TLR7 3871/4885

“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.