SCHEMBL2178920

SCHEMBL2178920

CC1(C)C(N)CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.39
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
SLC6A4 P31645 1/20 0.36
APLNR P35414 1/20 0.36
GRM4 Q14833 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
CD81 P60033 1/20 0.32
NSD2 O96028 1/20 0.31

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
SCHEMBL15362631 1.00 GABRR1 (0.39) GABRR1SLC1A2SLC1A1SLC6A4APLNR
Hydrochloric Acid SCHEMBL16669413 0.98 SLC1A2 (0.37) GABRR1SLC1A2SLC1A1SLC6A4APLNR
Trifluoroacetic Acid SCHEMBL965196 0.88 SLC1A2 (0.35) GABRR1SLC1A2SLC1A1SLC6A4
SCHEMBL16822029 0.81 GAA (0.31)
SCHEMBL12914984 0.81 CD81 (0.32) CD81
SCHEMBL12914987 0.81 CD81 (0.32) CD81
SCHEMBL6121809 0.79 APLNR (0.42) GABRR1SLC1A2SLC1A1SLC6A4APLNR
SCHEMBL15352277 0.79 APLNR (0.42) GABRR1SLC1A2SLC1A1SLC6A4APLNR
SCHEMBL21800873 0.79 APLNR (0.42) GABRR1SLC1A2SLC1A1SLC6A4APLNR
SCHEMBL6382497 0.79 APLNR (0.42) GABRR1SLC1A2SLC1A1SLC6A4APLNR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017506-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-07-10 US disclosed
EP-2877185-B1 2-(1-(1-(6-((CYCLOHEXYL)OXY)-5-(TRIFLUOROMETHYL)NAPHTHALEN-2-YL)ETHYL)PIPERIDIN-3-YL)ACETIC ACID DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATIONS AND AUTOIMMUNE DISORDERS BIOGEN MA INC (US) 2018-05-23 EP disclosed
EP-2877166-B1 1-[7-(cis-4-methyl-cyclohexyloxy)-8-trifluoromethyl-naphthalen-2-ylmethyl]-piperidine-4-carboxylic acid derivatives as autotaxin (ATX) modulators for treating inflammations and autoimmune disorders BIOGEN MA INC (US) 2018-02-28 EP disclosed
US-20170158687-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-08 US disclosed
US-9555050-B2 ATX modulating agents BIOGEN MA INC. (US) 2017-01-31 US disclosed
US-9522889-B2 ATX modulating agents BIOGEN MA INC. (US) 2016-12-20 US disclosed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 EP disclosed
US-20150246063-A1 ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-09-03 US disclosed
US-20150210647-A1 ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-30 US disclosed
EP-2877185-A1 ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP disclosed
EP-2877166-A1 ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 WO disclosed
WO-2014018887-A1 ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO disclosed
WO-2014018881-A1 ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO disclosed
WO-2011080562-A1 NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-07-07 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 (5 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 GABRR1 718/4885SLC1A2 3687/4885SLC1A1 3494/4885
US-20150246063-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 GABRR1 427/4885SLC1A2 433/4885SLC1A1 620/4885
US-20150210647-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 GABRR1 3414/4885SLC1A2 2321/4885SLC1A1 2290/4885
US-20170158687-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 GABRR1 3414/4885SLC1A2 2321/4885SLC1A1 2290/4885
US-10017506-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 GABRR1 3414/4885SLC1A2 2321/4885SLC1A1 2290/4885

“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.