SCHEMBL4869858

SCHEMBL4869858

CN1CCC(Sc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSPT1 P15170 1/20 0.48
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
SLC22A12 Q96S37 3/20 0.45
ALPL P05186 1/20 0.45
BRD4 O60885 1/20 0.42
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
PRF1 P14222 1/20 0.42
EGFR P00533 1/20 0.41
MET P08581 1/20 0.41
SRC P12931 1/20 0.41
AXL P30530 1/20 0.41
BCHE P06276 1/20 0.41
GSK3B P49841 1/20 0.41
IDH1 O75874 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
FGFR4 P22455 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
TRIM24 O15164 1/20 0.39

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
SCHEMBL4868699 0.87 TRIM24 (0.51) DDB1CRBNSLC22A12BRD4UTS2R
SCHEMBL4869725 0.81 HTR2A (0.51) DDB1CRBNATM
SCHEMBL4876553 0.81 HTR2A (0.47) SLC22A12BRD4PKLR
SCHEMBL4863145 0.77 SMN1; SMN2 (0.51)
SCHEMBL4875420 0.76 ALPL (0.47) ALPLUTS2R
SCHEMBL4873695 0.76 ALDH1A1 (0.58)
SCHEMBL4865306 0.75 ALDH1A1 (0.53)
SCHEMBL4876743 0.75 PKM (0.45) BRD4IDH1UTS2R
SCHEMBL5211942 0.75 HTR1F (0.52) GSPT1DDB1CRBNSLC22A12ALPL
SCHEMBL95622 0.72 ALPL (0.58) GSPT1DDB1CRBNSLC22A12ALPL

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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 GSPT1 2729/4885DDB1 1175/4885CRBN 1082/4885

“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.