SCHEMBL6262183

SCHEMBL6262183

CC(O)N1CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 4/20 0.52
NOTUM Q6P988 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL9315735 0.89 NOTUM (0.51) NOTUMSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL1102007 0.84 ALDH1A1 (0.48) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL8972513 0.81 SLC6A2 (0.41) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL25112007 0.81 SLC6A2 (0.49) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL14060360 0.81 ALDH1A1 (0.46) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL16600454 0.81 ALDH1A1 (0.46) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL21085252 0.81 ALDH1A1 (0.46) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL11852260 0.81 GAA (0.47) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL10434906 0.80 SLC6A2 (0.52) SLC6A2SLC6A4NOTUMSIGMAR1GAA
SCHEMBL27675111 0.80 GAA (0.56) SLC6A2SLC6A4NOTUMGAAGFER

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
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
EP-1002824-B1 AMINATED POLYSILAZANE AND PROCESS FOR THE PREPARATION THEREOF AZ ELECTRONIC MATERIALS USA (US) 2005-11-09 EP disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
US-6310168-B1 POLYSILAZANES WITH OXY PENDANT GOUPS TONEN CORPORATION (JP) 2001-10-30 US disclosed
EP-1002824-A1 AMINATED POLYSILAZANE AND PROCESS FOR THE PREPARATION THEREOF Tonen Corporation (JP) 2000-05-24 EP disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0441222-B1 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds BOEHRINGER MANNHEIM GMBH (DE) 1996-12-18 EP disclosed
CN-1026248-C Method and sensing electrode system for electrochemical determination of analytes and oxidoreductases BOEHRINGER MANNHEIM GMBH 1994-10-19 CN disclosed
US-5286362-A Reducible substance is enzymatically reduced and oxidized at the electrode; substance formed by oxidation is different from the reducible substance used initially BOEHRINGER MANNHEIM GMBH (DE) 1994-02-15 US disclosed
US-5202938-A Laminated waveguiding polarizer utilizing polymeric birefringent cladding HOECHST CELANESE CORP. (US) 1993-04-13 US disclosed
US-5171803-A Copolymer with side chains exhibiting nonlinear optical response HOECHST CELANESE CORP. 1992-12-15 US disclosed
US-5122244-A Having a reducible nitroso or oxime compound to transfer electrons leading to a signal and form an aromatic amine oxidizable to a compound different from the original; low voltage BOEHRINGER MANNHEIM GMBH (DE) 1992-06-16 US disclosed
CN-1054666-A Be used for the method for electrochemical determination of analyte or oxidoreducing enzyme and sensitive electrode system and for this reason and the compound that uses BOEHRINGER MANNHEIM GMBH (DE) 1991-09-18 CN disclosed
EP-0441222-A2 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds Roche Diagnostics GmbH (DE) 1991-08-14 EP 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 (2 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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD SLC6A2 4600/4885SLC6A4 4665/4885NOTUM 2236/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD SLC6A2 4600/4885SLC6A4 4665/4885NOTUM 2236/4885

“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.