SCHEMBL746279

SCHEMBL746279

CN1C2CCC1CC(Oc1cnc(-c3cccc4[nH]ccc34)cn1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.54
KCNH2 Q12809 3/20 0.44
MTOR P42345 3/20 0.42
PIK3CA P42336 2/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 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
SCHEMBL748164 0.88 CHRNA7 (0.44) CHRNA7KCNH2MTORPIK3CAHTR3E
SCHEMBL745851 0.85 CHRNA7 (0.49) CHRNA7KCNH2MTORPIK3CASLC6A2
SCHEMBL747091 0.84 CHRNA7 (0.53) CHRNA7KCNH2MTORPIK3CASLC6A2
SCHEMBL1110452 0.80 CHRNA7 (0.44) CHRNA7KCNH2MTORPIK3CASLC6A2
SCHEMBL743915 0.79 KCNH2 (0.52) CHRNA7KCNH2MTORPIK3CASLC6A2
SCHEMBL743968 0.78 CHRNA7 (0.53) CHRNA7KCNH2MTORCHRNB2CHRNB4
Hydrochloric Acid SCHEMBL2481429 0.77 CHRNA7 (0.52) CHRNA7KCNH2MTORCHRNB2CHRNB4
SCHEMBL1110502 0.77 CHRNA7 (0.44) CHRNA7KCNH2MTORPIK3CASLC6A2
Trifluoroacetic Acid SCHEMBL747038 0.77 CHRNA7 (0.42) CHRNA7KCNH2MTORPIK3CASLC6A2
Fumaric Acid SCHEMBL748438 0.77 CHRNA7 (0.46) CHRNA7KCNH2MTORPIK3CASLC6A2

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 CHRNA7 2776/4885KCNH2 708/4885MTOR 861/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885MTOR 861/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885KCNH2 183/4885MTOR 4838/4885

“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.