SCHEMBL746377

SCHEMBL746377

CN1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(-c3ccc4sccc4c3)cc1)C2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.45
KCNH2 Q12809 4/20 0.45
CA2 P00918 7/20 0.40
CA12 O43570 7/20 0.40
ENPP1 P22413 1/20 0.40
DYRK1A Q13627 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 1/20 0.37
ROCK2 O75116 1/20 0.37
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDM1A O60341 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
SCHEMBL744637 1.00 CHRNA7 (0.45) CHRNA7KCNH2CA2CA12ENPP1
Trifluoroacetic Acid SCHEMBL746922 0.90 BRD4 (0.40) CHRNA7KCNH2CA2CA12ENPP1
Trifluoroacetic Acid SCHEMBL746923 0.90 BRD4 (0.40) CHRNA7KCNH2CA2CA12ENPP1
SCHEMBL745744 0.77 FAAH (0.46)
SCHEMBL745745 0.77 FAAH (0.46)
SCHEMBL748442 0.76 NPC1 (0.44) CHRNA7KCNH2CA2CA12DYRK1A
SCHEMBL748130 0.76 CHRNA7 (0.44) CHRNA7KCNH2CA2CA12DYRK1A
SCHEMBL748443 0.76 NPC1 (0.44) CHRNA7KCNH2CA2CA12DYRK1A
SCHEMBL748131 0.76 CHRNA7 (0.44) CHRNA7KCNH2CA2CA12DYRK1A
SCHEMBL747066 0.75 ROCK2 (0.58) CHRNA7KCNH2DYRK1AROCK2

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-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 CHRNA7 2776/4885KCNH2 708/4885CA2 1714/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885CA2 1714/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885KCNH2 183/4885CA2 298/4885

“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.