SCHEMBL745147

SCHEMBL745147

CN1C2CCC1CC(Oc1ccc(-c3ccc4[nH]ncc4c3)nn1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
KCNH2 Q12809 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 7/20 0.41
GSK3B P49841 7/20 0.41
AURKB Q96GD4 5/20 0.41
ROCK1 Q13464 4/20 0.41
DYRK1A Q13627 4/20 0.41
CDC7 O00311 3/20 0.41
CDK5 Q00535 3/20 0.41
CDK1 P06493 3/20 0.41
RPS6KB1 P23443 3/20 0.41
CDK2 P24941 3/20 0.41
MAPK1 P28482 3/20 0.41
SGK2 Q9HBY8 3/20 0.41
DYRK3 O43781 2/20 0.41
CLK2 P49760 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41

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 SCHEMBL744444 0.92 CHRNA7 (0.47) CHRNA7PIK3CAMTORKCNH2SMN1; SMN2
SCHEMBL745277 0.85 CHRNA7 (0.61) CHRNA7KCNH2SMN1; SMN2
SCHEMBL744687 0.83 CHRNA7 (0.49) CHRNA7PIK3CAMTORKCNH2ROCK2
SCHEMBL745145 0.81 CHRNA7 (0.52) CHRNA7KCNH2SMN1; SMN2
SCHEMBL745841 0.81 CHRNA7 (0.59) CHRNA7PIK3CAMTORKCNH2SMN1; SMN2
SCHEMBL746894 0.80 CHRNA7 (0.57) CHRNA7KCNH2SMN1; SMN2
SCHEMBL745674 0.80 CHRNA7 (0.40) CHRNA7PIK3CAMTORSMN1; SMN2KDR
SCHEMBL745763 0.79 CHRNA7 (0.53) CHRNA7KCNH2DYRK1A
SCHEMBL745762 0.79 CHRNA7 (0.53) CHRNA7KCNH2DYRK1A
SCHEMBL745398 0.79 CHRNA7 (0.53) CHRNA7KCNH2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2776/4885PIK3CA 588/4885MTOR 861/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885PIK3CA 588/4885MTOR 861/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885PIK3CA 4136/4885MTOR 4838/4885

“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.