SCHEMBL5043696

SCHEMBL5043696

Cc1ccc(S(=O)(=O)OC23CCC(CCN(c4cccnc4)C2)N3C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.39
CHRNA4 P43681 7/20 0.39
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
CHRNA1 P02708 4/20 0.39
CHRNG P07510 4/20 0.39
CHRNB1 P11230 4/20 0.39
CHRNA7 P36544 4/20 0.39
CHRND Q07001 4/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM4 P08173 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5043503 0.71 MMP1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3MMP1
SCHEMBL1794437 0.70 CHRNA7 (0.41) CHRNB4CHRNA3CHRNA7SMN1; SMN2
SCHEMBL27031520 0.69 MMP1 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3MMP1
SCHEMBL5043508 0.69 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3MMP1
SCHEMBL5041551 0.68 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3MMP1
SCHEMBL5043607 0.68 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3MMP1
SCHEMBL4828760 0.67 MMP1 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3MMP1
SCHEMBL652902 0.67 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL747152 0.65 NAAA (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL654639 0.65 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP 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-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 CHRNB2 29/4885CHRNA4 14/4885CHRNB4 37/4885

“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.