SCHEMBL989197

SCHEMBL989197

CN1C2CCC1(OC(=O)/C=C/C(=O)OC13CCC(CC(Nc4cncc(-c5ccc6[nH]c(C(F)(F)F)cc6c5)c4)C1)N3C)CC(Nc1cncc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.39
KCNH2 Q12809 4/20 0.39
DYRK1A Q13627 9/20 0.37
GSK3B P49841 3/20 0.37
WNT1 P04628 3/20 0.35
BTK Q06187 6/20 0.33
EGFR P00533 6/20 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
Fumaric Acid SCHEMBL989195 0.81 CHRNA7 (0.43) CHRNA7KCNH2DYRK1AGSK3BWNT1
Fumaric Acid SCHEMBL989196 0.81 CHRNA7 (0.43) CHRNA7KCNH2DYRK1AGSK3BWNT1
SCHEMBL748444 0.79 CHRNA7 (0.48) CHRNA7KCNH2DYRK1AGSK3BWNT1
SCHEMBL744853 0.79 CHRNA7 (0.48) CHRNA7KCNH2DYRK1AGSK3BWNT1
Trifluoroacetic Acid SCHEMBL744720 0.66 CHRNA7 (0.47) CHRNA7KCNH2DYRK1AGSK3B
SCHEMBL745678 0.65 KCNH2 (0.52) CHRNA7KCNH2DYRK1AGSK3B
SCHEMBL745677 0.65 KCNH2 (0.52) CHRNA7KCNH2DYRK1AGSK3B
SCHEMBL748602 0.64 PIP4K2A (0.47) CHRNA7KCNH2DYRK1AGSK3B
SCHEMBL748603 0.64 PIP4K2A (0.47) CHRNA7KCNH2DYRK1AGSK3B
SCHEMBL744375 0.62 CHRNA7 (0.40) 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 5 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-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 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

“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.