SCHEMBL176778

SCHEMBL176778

NC(=O)[CH]C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GRIK1 P39086 2/20 0.36
ALOX5 P09917 2/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRIK2 Q13002 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6043876 1.00 EPHX1 (0.41) EPHX1CES2CES1GRIK1ALOX5
SCHEMBL2836151 0.97
SCHEMBL2838081 0.92
SCHEMBL2838225 0.86
SCHEMBL754743 0.76 NPC1 (0.40) EPHX1CES2CES1GRIK1NPC1
SCHEMBL6043694 0.76 NPC1 (0.40) EPHX1CES2CES1GRIK1NPC1
SCHEMBL3414158 0.75 TSHR (0.41) EPHX1MAPTKDM4ECYP3A4
SCHEMBL3114037 0.75 GRIN1 (0.41) EPHX1CES2CES1GRIK1ALOX5
SCHEMBL163417 0.75 GRIN1 (0.41) EPHX1CES2CES1GRIK1ALOX5
SCHEMBL4079497 0.75 GRIN1 (0.41) EPHX1CES2CES1GRIK1ALOX5

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 304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 EP claimed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP claimed
US-9468661-B2 Pyrrolidine derivatives and their use as complement pathway modulators NOVARTIS AG (CH) 2016-10-18 US claimed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US claimed
CN-104619698-B Pyrrolidin derivatives and the purposes as complement pathway regulator thereof 诺华股份有限公司 2016-08-31 CN claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US claimed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 EP claimed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US claimed
CN-102822171-B As the benzo naphthyridines amine of autotaxin inhibitors MERCK PATENT GMBH (DE) 2015-09-02 CN claimed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 US claimed
EP-1385839-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-02-04 EP claimed
EP-1377567-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP claimed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP claimed
WO-2002083663-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO claimed
WO-2002083664-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO claimed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO claimed
US-4000287-A HYPOTENSIVES, ANTIARRHYTHMIC CIBA-GEIGY CORPORATION (US) 1976-12-28 US claimed

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-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN EPHX1 1163/4885CES2 4505/4885CES1 1709/4885
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 EPHX1 1921/4885CES2 2433/4885CES1 2639/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN EPHX1 1412/4885CES2 2804/4885CES1 1381/4885

“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.