SCHEMBL743970

SCHEMBL743970

c1cc2cc(-c3ccc(OC4CC5CCC(C4)N5)cn3)cnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.46
KCNH2 Q12809 2/20 0.43
SLC6A4 P31645 12/20 0.41
SLC6A2 P23975 9/20 0.41
SLC6A3 Q01959 8/20 0.41
AXL P30530 2/20 0.41
CDK8 P49336 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
RIPK1 Q13546 2/20 0.40
BRD4 O60885 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
PDPK1 O15530 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39

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
SCHEMBL2231138 0.86 CHRNA7 (0.46) KCNH2SLC6A4SLC6A2SLC6A3ABL1
SCHEMBL747037 0.86 CHRNA7 (0.46) KCNH2SLC6A4SLC6A2SLC6A3ABL1
SCHEMBL2232474 0.86 CHRNA7 (0.46) KCNH2SLC6A4SLC6A2SLC6A3ABL1
Hydrochloric Acid SCHEMBL747610 0.85 CHRNA7 (0.45) KCNH2SLC6A4SLC6A2SLC6A3ABL1
SCHEMBL746345 0.84 PRKCZ (0.43) PRKCZSLC6A2SLC6A3AXLCDK8
SCHEMBL2485905 0.77 KDM1A (0.55) KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL2485906 0.77 KDM1A (0.55) KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL743836 0.74 PIK3CD (0.38) PRKCZPIK3CDPIK3CAPIK3CGFLT3
SCHEMBL747203 0.72 SLC6A4 (0.44) KCNH2SLC6A4SLC6A2SLC6A3ABL1
SCHEMBL745239 0.71 KDM1A (0.47) KCNH2SLC6A4SLC6A2SLC6A3

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-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
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
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 PRKCZ 1952/4885KCNH2 708/4885SLC6A4 3130/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 PRKCZ 1952/4885KCNH2 708/4885SLC6A4 3130/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 PRKCZ 1359/4885KCNH2 183/4885SLC6A4 461/4885

“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.