SCHEMBL747584

SCHEMBL747584

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3ccc4sccc4c3)nc1)C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
CHRNA7 P36544 4/20 0.49
KCNH2 Q12809 4/20 0.49
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA12 O43570 4/20 0.38
ENPP1 P22413 1/20 0.38
CA2 P00918 4/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
OPRK1 P41145 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
SCHEMBL744850 1.00 KDM1A (0.53) KDM1ACHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL2485906 0.83 KDM1A (0.55) KDM1ACHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL2485905 0.83 KDM1A (0.55) KDM1ACHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL748633 0.82 KDM1A (0.46) KDM1ACHRNA7KCNH2CA12ENPP1
SCHEMBL745762 0.82 CHRNA7 (0.53) KDM1ACHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL745763 0.82 CHRNA7 (0.53) KDM1ACHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL745007 0.81 CHRNA7 (0.53) KDM1ACHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL1110495 0.81 CHRNA7 (0.46) KDM1ACHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL2484828 0.81 CHRNA7 (0.49) CHRNA7KCNH2SLC6A2SLC6A3
SCHEMBL2484827 0.81 CHRNA7 (0.49) CHRNA7KCNH2SLC6A2SLC6A3

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-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
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 KDM1A 2761/4885CHRNA7 2776/4885KCNH2 708/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 KDM1A 2761/4885CHRNA7 2776/4885KCNH2 708/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 KDM1A 2173/4885CHRNA7 1/4885KCNH2 183/4885

“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.