SCHEMBL1814533

SCHEMBL1814533

c1ccc(CN(Cc2ccccc2)C2C3CNCC32)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 3/20 0.51
CTSD P07339 1/20 0.45
REN P00797 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GBA1 P04062 2/20 0.39
MC4R P32245 1/20 0.39
YTHDC1 Q96MU7 1/20 0.38
CA2 P00918 1/20 0.37
SSTR4 P31391 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
AOC3 Q16853 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
SCHEMBL14087065 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CTSDREN
SCHEMBL14741312 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CTSDREN
SCHEMBL7867639 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CTSDREN
SCHEMBL14741345 0.81 CHRM2 (0.47) SLC6A2SLC6A4SLC6A3CTSDALDH1A1
SCHEMBL4294468 0.80 CTSD (0.60) SLC6A2SLC6A4SLC6A3CTSDGBA1
SCHEMBL12627343 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL18484463 0.74 KMT2A (0.41) SLC6A2SLC6A4ALDH1A1TSHRMC4R
SCHEMBL7867642 0.74 KMT2A (0.41) SLC6A2SLC6A4ALDH1A1TSHRMC4R
SCHEMBL16422495 0.74 CTSD (0.54) SLC6A2SLC6A4SLC6A3CTSDREN
SCHEMBL14820140 0.74 KMT2A (0.41) SLC6A2SLC6A4ALDH1A1TSHRMC4R

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-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
US-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US disclosed
US-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US disclosed
US-20080194547-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-08-14 US disclosed
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 US disclosed
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 US disclosed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 EP disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
US-6310216-B1 Special 3-azabicyclo[3.1.0]hexanes, method for producing and modifying the same, and their use BAYER AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed
EP-1000026-A1 SPECIAL 3-AZABICYCLO 3.1.0]HEXANES, METHOD FOR PRODUCING AND MODIFYING THE SAME, AND THEIR USE Bayer Aktiengesellschaft (DE) 2000-05-17 EP disclosed
WO-1999006368-A1 SPECIAL 3-AZABICYCLO[3.1.0]HEXANES, METHOD FOR PRODUCING AND MODIFYING THE SAME, AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 1999-02-11 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP SLC6A2 3627/4885SLC6A4 4244/4885SLC6A3 3405/4885
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 SLC6A2 4724/4885SLC6A4 4725/4885SLC6A3 4773/4885
US-20080194547-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 SLC6A2 1207/4885SLC6A4 1924/4885SLC6A3 2456/4885

“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.