SCHEMBL4101618

SCHEMBL4101618

Cc1ccc(S(=O)(=O)Oc2c[nH]c3cccc(-c4cncc(N5C[C@@H]6CN(C)C[C@H]65)c4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.32
HTR6 P50406 1/20 0.32
CHRNB2 P17787 3/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL4114759 0.84 HTR1D (0.34) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4101615 0.77 PIP4K2A (0.42) HRH3
SCHEMBL4103756 0.74 HTR6 (0.32) HTR6ALDH1A1
SCHEMBL4108405 0.73 CHRNA7 (0.45) HRH3
SCHEMBL4108403 0.73 CHRNA7 (0.45) HRH3
SCHEMBL4114755 0.70 PIP4K2A (0.41) HRH3
SCHEMBL748165 0.66 HTR6 (0.35) HTR6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4117768 0.66 PIP4K2A (0.44) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4117772 0.66 PIP4K2A (0.44) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4120169 0.65 CHRNA7 (0.49) HRH3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC HRH3 2563/4885HTR6 3267/4885CHRNB2 3338/4885

“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.