SCHEMBL2226233

SCHEMBL2226233

COCCN1[CH]CCCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2074987 0.94
SCHEMBL607241 0.76
SCHEMBL2099498 0.72 CYP1A2 (0.34)
SCHEMBL4290268 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8023826 0.71
SCHEMBL3485596 0.71
SCHEMBL3317288 0.71
SCHEMBL6506199 0.71 L3MBTL1 (0.33)
SCHEMBL2100033 0.71 GRM2 (0.31)
SCHEMBL1168662 0.71 LTA4H (0.35) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071399-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SYGNATURE DISCOVERY LTD (GB) 2019-03-07 US claimed
EP-3426649-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Respivert Limited (GB) 2019-01-16 EP claimed
WO-2017153748-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS RESPIVERT LIMITED (GB) 2017-09-14 WO claimed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US claimed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP claimed
CN-102712640-A Tricyclic heterocyclic compounds, compositions and methods of use thereof HOFFMANN LA ROCHE 2012-10-03 CN claimed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US claimed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO claimed
US-11208381-B2 Indole derivatives and their use as protein kinase inhibitors RESPIVERT LIMITED (GB) 2021-12-28 US disclosed
US-20210114982-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS RESPIVERT LIMITED (GB) 2021-04-22 US disclosed
US-10669235-B2 Indole derivatives and their use as protein kinase inhibitors RESPIVERT LIMITED (GB) 2020-06-02 US disclosed
US-20190071399-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SYGNATURE DISCOVERY LTD (GB) 2019-03-07 US disclosed
EP-3426649-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Respivert Limited (GB) 2019-01-16 EP disclosed
WO-2017153748-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS RESPIVERT LIMITED (GB) 2017-09-14 WO disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
CN-1245402-C indole derivatives, process for their preparation, pharmaceutical compositions containing them and their use ASTRAZENECA AB (SE) 2006-03-15 CN disclosed
US-20050033052-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-10 US disclosed
CN-1468230-A Compound (I) 2004-01-14 CN 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 (8 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-20050033052-A1 Novel compounds LTA4H, PLA2G1B, PLA2G4B ALDH1A1 775/4885KDM4E 3137/4885NPSR1 2214/4885
US-10669235-B2 Indole derivatives and their use as protein kinase inhibitors GRK3, IDO1, CIT ALDH1A1 2888/4885KDM4E 1071/4885NPSR1 1432/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885KDM4E 2238/4885NPSR1 675/4885
US-11208381-B2 Indole derivatives and their use as protein kinase inhibitors GRK3, IDO1, CIT ALDH1A1 2888/4885KDM4E 1071/4885NPSR1 1432/4885
US-20190071399-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS GRK3, IDO1, CIT ALDH1A1 2888/4885KDM4E 1071/4885NPSR1 1432/4885
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 ALDH1A1 479/4885KDM4E 3880/4885NPSR1 1489/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885KDM4E 2333/4885NPSR1 2720/4885
US-20210114982-A1 INDOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS GRK3, IDO1, CIT ALDH1A1 2888/4885KDM4E 1071/4885NPSR1 1432/4885

“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.