SCHEMBL745145

SCHEMBL745145

CN1C2CCC1CC(Oc1ccc(-c3ccc4cc[nH]c4c3)nn1)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.52
KCNH2 Q12809 6/20 0.52
HTT P42858 1/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MPO P05164 1/20 0.37
BRAF P15056 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
SCHEMBL745277 0.92 CHRNA7 (0.61) CHRNA7KCNH2HTTCHRNB2CHRNB4
Trifluoroacetic Acid SCHEMBL764686 0.90 CHRNA7 (0.44) CHRNA7KCNH2HTTCHRNB2CHRNB4
SCHEMBL745841 0.88 CHRNA7 (0.59) CHRNA7KCNH2HTTCHRNB2CHRNB4
Fumaric Acid SCHEMBL745601 0.84 CHRNA7 (0.52) CHRNA7KCNH2HTTCHRNB2CHRNB4
SCHEMBL743915 0.84 KCNH2 (0.52) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL744964 0.83 CHRNA7 (0.52) CHRNA7KCNH2HTTCHRNB2CHRNB4
SCHEMBL745147 0.81 CHRNA7 (0.54) CHRNA7KCNH2SMN1; SMN2
SCHEMBL746332 0.81 CHRNA7 (0.48) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL746894 0.80 CHRNA7 (0.57) CHRNA7KCNH2HTTCHRNB2CHRNB4
Hydrochloric Acid SCHEMBL746978 0.80 CHRNA7 (0.47) 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 11 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-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 CHRNA7 2776/4885KCNH2 708/4885HTT 1970/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885HTT 1970/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885KCNH2 183/4885HTT 1493/4885

“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.