SCHEMBL745267

SCHEMBL745267

CN1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(-c3ccc4[nH]ccc4c3)nc1)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.48
KCNH2 Q12809 6/20 0.48
FYN P06241 2/20 0.40
ABL1 P00519 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
LRRK2 Q5S007 1/20 0.39
ULK1 O75385 1/20 0.38
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
MTOR P42345 1/20 0.38
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
KAT2B Q92831 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
SCHEMBL745268 1.00 CHRNA7 (0.48) CHRNA7KCNH2FYNABL1IRAK4
Hydrochloric Acid SCHEMBL746659 0.99 CHRNA7 (0.48) CHRNA7KCNH2FYNABL1IRAK4
Hydrochloric Acid SCHEMBL746658 0.99 CHRNA7 (0.48) CHRNA7KCNH2FYNABL1IRAK4
SCHEMBL743913 0.93 KCNH2 (0.47) CHRNA7KCNH2IRAK4PIP4K2APIP4K2B
SCHEMBL743914 0.93 KCNH2 (0.47) CHRNA7KCNH2IRAK4PIP4K2APIP4K2B
SCHEMBL748443 0.87 NPC1 (0.44) CHRNA7KCNH2ABL1IRAK4PIP4K2A
SCHEMBL748442 0.87 NPC1 (0.44) CHRNA7KCNH2ABL1IRAK4PIP4K2A
SCHEMBL746412 0.86 ROCK2 (0.52) CHRNA7KCNH2MTOR
SCHEMBL746411 0.86 ROCK2 (0.52) CHRNA7KCNH2MTOR
SCHEMBL745678 0.84 KCNH2 (0.52) CHRNA7KCNH2IRAK4ULK1BRD4

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
US-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US claimed
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-20110178121-A1 Methods for Treating Pain ABBOTT LABORATORIES (US) 2011-07-21 US claimed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US 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 CHRNA7 2776/4885KCNH2 708/4885FYN 2219/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885FYN 2219/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885KCNH2 183/4885FYN 807/4885

“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.