SCHEMBL743915

SCHEMBL743915

CN1C2CCC1CC(Oc1cnc(-c3ccc4cc[nH]c4c3)cn1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.52
CHRNA7 P36544 7/20 0.52
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MPO P05164 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
BRAF P15056 1/20 0.38
MTOR P42345 2/20 0.38
BRD4 O60885 1/20 0.38
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL743968 0.92 CHRNA7 (0.53) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2481429 0.91 CHRNA7 (0.52) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL744608 0.87 CHRNA7 (0.42) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL747272 0.86 PIK3CA (0.41) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL746332 0.85 CHRNA7 (0.48) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL746978 0.84 CHRNA7 (0.47) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL745145 0.84 CHRNA7 (0.52) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL744366 0.81 CHRNA7 (0.53) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL1110630 0.81 KCNH2 (0.43) KCNH2CHRNA7MPOSLC6A2SLC6A3
SCHEMBL743794 0.81 CHRNA7 (0.42) KCNH2CHRNA7CHRNB2CHRNB4CHRNA3

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
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 KCNH2 708/4885CHRNA7 2776/4885CHRNB2 2585/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 KCNH2 708/4885CHRNA7 2776/4885CHRNB2 2585/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 KCNH2 183/4885CHRNA7 1/4885CHRNB2 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.