SCHEMBL747272

SCHEMBL747272

CN1C2CCC1CC(Oc1cnc(-c3cnc4[nH]ccc4c3)cn1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.41
MTOR P42345 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
PIK3CD O00329 3/20 0.41
BRD4 O60885 1/20 0.40
CDK8 P49336 2/20 0.40
AXL P30530 1/20 0.40
CHRNA7 P36544 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
PIK3CG P48736 2/20 0.39
KCNH2 Q12809 2/20 0.39
PIK3CB P42338 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39

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
SCHEMBL747739 0.88 PIK3CD (0.38) PIK3CAMTORATMATRPIK3CD
SCHEMBL743968 0.87 CHRNA7 (0.53) MTORCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL746345 0.86 PRKCZ (0.43) PIK3CAMTORATMATRPIK3CD
Hydrochloric Acid SCHEMBL2481429 0.86 CHRNA7 (0.52) MTORCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL743915 0.86 KCNH2 (0.52) PIK3CAMTORPIK3CDBRD4CHRNA7
SCHEMBL748950 0.79 CHRNA7 (0.44) PIK3CAMTORATRPIK3CDBRD4
SCHEMBL744366 0.78 CHRNA7 (0.53) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL743794 0.76 CHRNA7 (0.42) PIK3CDCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL743836 0.76 PIK3CD (0.38) PIK3CAMTORATMATRPIK3CD
SCHEMBL744608 0.75 CHRNA7 (0.42) MTORPIK3CDCHRNA7CHRNB2CHRNB4

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 PIK3CA 588/4885MTOR 861/4885ATM 2340/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 PIK3CA 588/4885MTOR 861/4885ATM 2340/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 PIK3CA 4136/4885MTOR 4838/4885ATM 4503/4885

“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.