SCHEMBL744853

SCHEMBL744853

CN1C2CCC1CC(Nc1cncc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.48
KCNH2 Q12809 4/20 0.48
DYRK1A Q13627 3/20 0.37
GSK3B P49841 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
WNT1 P04628 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
ROCK2 O75116 2/20 0.33
ARHGDIA P52565 2/20 0.33
ROCK1 Q13464 2/20 0.33
BTK Q06187 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL748444 1.00 CHRNA7 (0.48) CHRNA7KCNH2DYRK1AGSK3BKDM4E
Fumaric Acid SCHEMBL989195 0.92 CHRNA7 (0.43) CHRNA7KCNH2DYRK1AGSK3BKDM4E
Fumaric Acid SCHEMBL989196 0.92 CHRNA7 (0.43) CHRNA7KCNH2DYRK1AGSK3BKDM4E
SCHEMBL745677 0.84 KCNH2 (0.52) CHRNA7KCNH2DYRK1AGSK3BKDM4E
SCHEMBL745678 0.84 KCNH2 (0.52) CHRNA7KCNH2DYRK1AGSK3BKDM4E
SCHEMBL748602 0.83 PIP4K2A (0.47) CHRNA7KCNH2DYRK1AGSK3BIRAK4
SCHEMBL748603 0.83 PIP4K2A (0.47) CHRNA7KCNH2DYRK1AGSK3BIRAK4
SCHEMBL743838 0.80 PIP4K2A (0.48) CHRNA7KCNH2DYRK1AGSK3BKDM4E
SCHEMBL743837 0.80 PIP4K2A (0.48) CHRNA7KCNH2DYRK1AGSK3BKDM4E
SCHEMBL989197 0.79 CHRNA7 (0.39) CHRNA7KCNH2DYRK1AGSK3BWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US claimed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP claimed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP claimed
US-20110178121-A1 Methods for Treating Pain ABBOTT LABORATORIES (US) 2011-07-21 US claimed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US claimed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US claimed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US claimed
US-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US disclosed
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-20110178121-A1 Methods for Treating Pain ABBOTT LABORATORIES (US) 2011-07-21 US 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 (3 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 CHRNA7 2776/4885KCNH2 708/4885DYRK1A 4202/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885DYRK1A 4202/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885KCNH2 183/4885DYRK1A 3572/4885

“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.