SCHEMBL19767

SCHEMBL19767

CCCC1(C(=O)O)CCC(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.35
CYP2C19 P33261 1/20 0.32
CETP P11597 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNA3 P22001 1/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL17049040 0.89 CPB2 (0.39) CPB2CETPMEN1KMT2A
SCHEMBL11838266 0.87 SIRT2 (0.39) CPB2CETP
SCHEMBL10783838 0.84 CETP (0.32) CETP
SCHEMBL165219 0.83 CYP2C19 (0.34) CPB2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL3153596 0.83
Hydrochloric Acid SCHEMBL11613521 0.81 CYP2C19 (0.38) CPB2CYP2C19CETPFFAR3
SCHEMBL7413053 0.80 L3MBTL1 (0.40) MEN1KMT2A
SCHEMBL16628708 0.79 KCNA3 (0.35) MEN1KMT2AKCNA3
SCHEMBL14127769 0.79 CETP (0.33) CPB2CYP2C19CETPMEN1KMT2A
SCHEMBL4580987 0.79 CYP2C19 (0.46) CYP2C19CETPMEN1KMT2AFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368516-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
EP-3368539-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
WO-2017075178-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
WO-2017075182-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
EP-2884976-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028597-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014026328-A1 3-CYCLOHEXENYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
WO-2013096093-A1 COMPOUNDS AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 WO disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 WO disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed
WO-2012027239-A1 NOVEL PYRAZOLO[1,5-a]PYRROLO[3,2-e]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed
US-8039474-B2 2,3,4,9-tetrahydro-1H-carbazole derivatives as CRTH2 receptor antagonists ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
EP-1833791-B1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-03 EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
EP-1833791-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 EP disclosed
WO-2006070325-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-07-06 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 (1 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-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, CRHR2, GRK2 CPB2 1823/4885CYP2C19 426/4885CETP 2623/4885

“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.