SCHEMBL746345

SCHEMBL746345

CN1C2CCC1CC(Oc1ccc(-c3cnc4[nH]ccc4c3)nc1)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PIK3CA P42336 6/20 0.41
MTOR P42345 2/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
PIK3CD O00329 3/20 0.41
BRD4 O60885 1/20 0.39
PIK3CG P48736 2/20 0.39
CDK8 P49336 2/20 0.39
AXL P30530 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PIK3CB P42338 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL743836 0.88 PIK3CD (0.38) PRKCZPIK3CAMTORATMATR
SCHEMBL744341 0.87 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL2484828 0.87 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL2484827 0.87 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL747272 0.86 PIK3CA (0.41) PRKCZPIK3CAMTORATMATR
SCHEMBL746332 0.86 CHRNA7 (0.48) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL746978 0.85 CHRNA7 (0.47) SLC6A2SLC6A3
SCHEMBL743970 0.84 PRKCZ (0.46) PRKCZSLC6A2SLC6A3PIK3CAPIK3CD
SCHEMBL744687 0.80 CHRNA7 (0.49) SLC6A2SLC6A3PIK3CAMTORAXL
SCHEMBL744850 0.77 KDM1A (0.53) SLC6A2SLC6A3BRD4

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 18 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
WO-2011090669-A1 METHODS FOR TREATING PAIN ABBOTT LABORATORIES (US) 2011-07-28 WO 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
WO-2011090669-A1 METHODS FOR TREATING PAIN ABBOTT LABORATORIES (US) 2011-07-28 WO 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
EP-2018380-A2 CNS ACTIVE FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES Abbott Laboratories (US) 2009-01-28 EP disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US disclosed
WO-2007137030-A2 CNS ACTIVE FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2007-11-29 WO 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 PRKCZ 1952/4885SLC6A2 2602/4885SLC6A3 2587/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 PRKCZ 1952/4885SLC6A2 2602/4885SLC6A3 2587/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 PRKCZ 1359/4885SLC6A2 174/4885SLC6A3 392/4885

“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.