SCHEMBL4114759

SCHEMBL4114759

Cc1ccc(S(=O)(=O)Oc2c[nH]c3ccc(-c4cncc(N5C[C@@H]6CN(C)C[C@H]65)c4)cc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.34
HTR1B P28222 2/20 0.34
HRH3 Q9Y5N1 4/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ICMT O60725 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MAPT P10636 1/20 0.31
HTR1F P30939 1/20 0.31
WNT1 P04628 1/20 0.31
DYRK1A Q13627 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
SCHEMBL4101618 0.84 HRH3 (0.32) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4109796 0.80 KCNH2 (0.37) HTR1DHTR1BHRH3CHRNB4CHRNA3
SCHEMBL4114755 0.77 PIP4K2A (0.41) HRH3
SCHEMBL4101590 0.76 KCNH2 (0.38) HTR1DHTR1BWNT1DYRK1A
SCHEMBL1790915 0.75 KCNH2 (0.54) HTR1DHTR1BHRH3CHRNB2CHRNA4
SCHEMBL4101615 0.72 PIP4K2A (0.42) HRH3
SCHEMBL4120169 0.72 CHRNA7 (0.49) HRH3CHRNB2CHRNA4
SCHEMBL4120175 0.72 CHRNA7 (0.49) HRH3CHRNB2CHRNA4
SCHEMBL4117772 0.71 PIP4K2A (0.44) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4117768 0.71 PIP4K2A (0.44) HRH3CHRNB2CHRNB4CHRNA3CHRNA4

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 HTR1D 4146/4885HTR1B 3290/4885HRH3 2563/4885

“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.