SCHEMBL748520

SCHEMBL748520

CN1C2CCC1CC(Oc1ccc(-c3ccc4c(c3)CC(=O)N4)nc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
BRD4 O60885 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIA1 P42261 3/20 0.39
CRBN Q96SW2 2/20 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
Hydrochloric Acid SCHEMBL746931 0.99 KDM1A (0.45) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL745239 0.85 KDM1A (0.47) KDM1APDE3BPDE3ACYP1A2CYP11B1
SCHEMBL744687 0.78 CHRNA7 (0.49) KDM1ASLC6A2SLC6A3MTOR
SCHEMBL746332 0.77 CHRNA7 (0.48) KDM1ASLC6A2SLC6A3
SCHEMBL744341 0.76 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL2484828 0.76 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL2484827 0.76 CHRNA7 (0.49) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL746978 0.76 CHRNA7 (0.47) KDM1ASLC6A2SLC6A3
SCHEMBL989954 0.76 SLC6A2 (0.50) KDM1ASLC6A2SLC6A3HRH3
SCHEMBL3826883 0.76 KDM1A (0.42) KDM1APDE4APDE4BPDE4CPDE4D

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 14 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
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 KDM1A 2761/4885PDE4A 2374/4885PDE4B 2201/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 KDM1A 2761/4885PDE4A 2374/4885PDE4B 2201/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 KDM1A 2173/4885PDE4A 303/4885PDE4B 361/4885

“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.