SCHEMBL744858

SCHEMBL744858

CN1C2CCC1CC(Oc1ccc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)cn1)C2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.56
CHRNA7 P36544 6/20 0.56
LOXL2 Q9Y4K0 2/20 0.40
DGAT1 O75907 5/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TDO2 P48775 1/20 0.37
SOAT1 P35610 1/20 0.36
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
SOS1 Q07889 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL746894 0.85 CHRNA7 (0.57) KCNH2CHRNA7SOS1SLC6A2SLC6A3
SCHEMBL16136701 0.84 CHRNA7 (0.50) KCNH2CHRNA7SOS1SLC6A2SLC6A3
SCHEMBL748372 0.82 KCNH2 (0.53) KCNH2CHRNA7DGAT1SOS1SLC6A2
SCHEMBL744366 0.82 CHRNA7 (0.53) KCNH2CHRNA7HRH3TDO2CHRNB2
Trifluoroacetic Acid SCHEMBL747090 0.80 CHRNA7 (0.51) KCNH2CHRNA7DGAT1
SCHEMBL1110439 0.79 CHRNA7 (0.47) KCNH2CHRNA7HRH3SOS1SLC6A2
Fumaric Acid SCHEMBL747023 0.76 CHRNA7 (0.47) KCNH2CHRNA7DGAT1SOS1SLC6A2
SCHEMBL745007 0.75 CHRNA7 (0.53) KCNH2CHRNA7HRH3ATMATR
SCHEMBL745008 0.75 CHRNA7 (0.53) KCNH2CHRNA7HRH3ATMATR
Fumaric Acid SCHEMBL747319 0.75 CHRNA7 (0.46) KCNH2CHRNA7DGAT1CHRNB2CHRNB4

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 KCNH2 708/4885CHRNA7 2776/4885LOXL2 1843/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 KCNH2 708/4885CHRNA7 2776/4885LOXL2 1843/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 KCNH2 183/4885CHRNA7 1/4885LOXL2 2146/4885

“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.