SCHEMBL929129

SCHEMBL929129

Cc1ccc(S(=O)(=O)OC2C3CNCC3CN2c2nc(-c3ccccc3)ns2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.38
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CYP2D6 P10635 1/20 0.34
GBA1 P04062 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.32
DPP4 P27487 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL928152 0.84 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPK1NPC1
SCHEMBL6322925 0.83 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19MEN1CYP2C9
SCHEMBL929655 0.82 USP30 (0.39) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL928386 0.80 NPC1 (0.35) ALDH1A1CYP1A2CYP2C19MEN1CYP2C9
SCHEMBL928612 0.78 CYP2D6 (0.35) CYP1A2CYP2C19MEN1KMT2ACYP2D6
SCHEMBL929128 0.76 FAAH (0.50) FAAHALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL928239 0.75 CYP2D6 (0.35) ALDH1A1CYP1A2CYP2C19MEN1CYP2C9
SCHEMBL1794096 0.70 CYP2D6 (0.35) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL927454 0.68 BPTF (0.49) FAAHDPP4NPC1RAB9ACNR2
SCHEMBL3760978 0.64 NPC1 (0.41) FAAHADORA3DPP4NPC1RAB9A

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-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 FAAH 1243/4885ALDH1A1 537/4885CYP1A2 584/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 FAAH 1153/4885ALDH1A1 584/4885CYP1A2 573/4885

“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.