SCHEMBL743968

SCHEMBL743968

CN1C2CCC1CC(Oc1cnc(-c3ccc4[nH]ccc4c3)cn1)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.53
KCNH2 Q12809 6/20 0.53
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAP3K11 Q16584 1/20 0.41
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MTOR P42345 2/20 0.40
LRRK2 Q5S007 1/20 0.40
PDE10A Q9Y233 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
Hydrochloric Acid SCHEMBL2481429 0.99 CHRNA7 (0.52) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL743915 0.92 KCNH2 (0.52) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL744366 0.89 CHRNA7 (0.53) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL743794 0.87 CHRNA7 (0.42) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL747272 0.87 PIK3CA (0.41) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL2484827 0.86 CHRNA7 (0.49) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL744341 0.86 CHRNA7 (0.49) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL2484828 0.86 CHRNA7 (0.49) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2484675 0.85 FYN (0.47) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL745277 0.84 CHRNA7 (0.61) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3

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
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
EP-2018380-A2 CNS ACTIVE FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES Abbott Laboratories (US) 2009-01-28 EP claimed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US claimed
WO-2007137030-A2 CNS ACTIVE FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2007-11-29 WO 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
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 708/4885CHRNB2 2585/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885CHRNB2 2585/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885KCNH2 183/4885CHRNB2 12/4885

“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.