SCHEMBL743792

SCHEMBL743792

Cc1ccc(S(=O)(=O)OC23CCC(CC(Oc4ccc(-c5ccc6sccc6c5)cn4)C2)N3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.43
CA2 P00918 8/20 0.43
CHRNA7 P36544 4/20 0.39
KCNH2 Q12809 4/20 0.39
ENPP1 P22413 1/20 0.32
HTR6 P50406 1/20 0.32
PIK3CD O00329 1/20 0.31
KDM1A O60341 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
WNT1 P04628 1/20 0.30
DYRK1A Q13627 1/20 0.30
DGAT1 O75907 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
SCHEMBL743790 0.79 CA12 (0.43) CA12CA2CHRNA7KCNH2ENPP1
SCHEMBL743791 0.79 CA12 (0.43) CA12CA2CHRNA7KCNH2ENPP1
SCHEMBL745007 0.74 CHRNA7 (0.53) CA12CA2CHRNA7KCNH2ENPP1
SCHEMBL745008 0.74 CHRNA7 (0.53) CA12CA2CHRNA7KCNH2ENPP1
SCHEMBL747152 0.73 NAAA (0.35) KCNH2
SCHEMBL990816 0.69 KCNH2 (0.41) CHRNA7KCNH2KDM1ABRD4CREBBP
SCHEMBL748482 0.65 KCNH2 (0.40) CHRNA7KCNH2KDM1ABRD4CREBBP
SCHEMBL748633 0.65 KDM1A (0.46) CA12CA2CHRNA7KCNH2ENPP1
SCHEMBL746275 0.64 CHRNA7 (0.42) CA12CA2CHRNA7KCNH2HTR6
SCHEMBL3622695 0.64 CHRNA7 (0.44) CA12CA2CHRNA7KCNH2ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 CA12 454/4885CA2 1714/4885CHRNA7 2776/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CA12 454/4885CA2 1714/4885CHRNA7 2776/4885

“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.