SCHEMBL4103756

SCHEMBL4103756

Cc1ccc(S(=O)(=O)Oc2c[nH]c3cccc(-c4cncc(N5C[C@H]6CN(C)[C@@H]6C5)n4)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL4101590 0.83 KCNH2 (0.38) KCNH2
SCHEMBL4103755 0.78 ATR (0.39) KCNH2
SCHEMBL4101618 0.74 HRH3 (0.32) HTR6ALDH1A1
SCHEMBL4102330 0.72 CHRNA7 (0.46) KCNH2
SCHEMBL1790915 0.70 KCNH2 (0.54) KCNH2
SCHEMBL748165 0.69 HTR6 (0.35) HTR6KCNH2ALDH1A1
SCHEMBL4114846 0.63 KCNH2 (0.57) KCNH2
SCHEMBL4114840 0.63 KCNH2 (0.57) KCNH2
SCHEMBL4102049 0.63 KCNH2 (0.67) KCNH2
SCHEMBL16290042 0.63 KCNH2 (0.67) KCNH2

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 HTR6 3267/4885KCNH2 2724/4885KDM4E 3728/4885

“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.