SCHEMBL6324089

SCHEMBL6324089

Cc1ccc(S(=O)(=O)OC2C3CN(c4ccc(-c5ccccc5)cn4)CC3CN2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
KCNH2 Q12809 1/20 0.40
ACACB O00763 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL6332378 0.83 ALDH1A1 (0.41) CHRNA7CYP2D6CYP1A2ALDH1A1NPSR1
SCHEMBL1791683 0.83 GHSR (0.42) CHRNA7KCNH2CYP2D6CYP1A2
SCHEMBL928166 0.81 NPC1 (0.37) CHRNA7CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL928324 0.81 USP30 (0.36) CHRNA7CYP2D6CYP1A2ALDH1A1CYP3A4
SCHEMBL6324081 0.77 CHRNA7 (0.46) CHRNA7KCNH2HCRTR1HCRTR2ALDH1A1
SCHEMBL1797114 0.76 KCNH2 (0.44) CHRNA7KCNH2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1792649 0.74 CHRNA7 (0.39) CHRNA7CYP2D6CYP1A2
SCHEMBL1792193 0.72 CHRNB2 (0.39) CHRNA7KCNH2ALDH1A1KDM4EMAPK1
SCHEMBL926714 0.72 CHRNA7 (0.53) CHRNA7KCNH2ACACBHCRTR1HCRTR2
SCHEMBL1793090 0.72 CHRNA7 (0.53) CHRNA7KCNH2ACACBHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 CHRNA7 1/4885KCNH2 179/4885ACACB 757/4885

“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.