SCHEMBL1562008

SCHEMBL1562008

COC(=O)NC1CC[CH]CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
JAK1 P23458 1/20 0.35
KCNA3 P22001 1/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL8464579 0.84 EPHX1 (0.46) EPHX1MAPTNPSR1RAB9AALDH1A1
SCHEMBL2050427 0.84
SCHEMBL1498382 0.80 BTK (0.53) EPHX1KMT2AKCNA3EPHX2
SCHEMBL1561255 0.80 NFKB1 (0.45) EPHX1MAPTMEN1KMT2AALDH1A1
SCHEMBL5949566 0.80 HSD11B1 (0.42) EPHX1NPSR1RAB9AALDH1A1NPC1
SCHEMBL423315 0.79
SCHEMBL868764 0.79 EPHX1 (0.59) EPHX1MAPTNPSR1RAB9AALDH1A1
SCHEMBL20641819 0.77
SCHEMBL1561037 0.77 ATM (0.47) EPHX1MAPTMEN1KMT2ARAB9A
SCHEMBL23735487 0.77 EPHX2 (0.56) EPHX1MAPTRAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399461-B2 Bicyclic heterocycles, medicaments containing said compounds, use thereof, and method for production of same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-19 US claimed
US-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 US claimed
EP-2091925-B1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INT (DE) 2011-04-06 EP claimed
EP-2091925-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME Boehringer Ingelheim International GmbH (DE) 2009-08-26 EP claimed
EP-1966189-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP claimed
WO-2008055854-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 WO claimed
EP-1921070-A1 Bicyclic heterocycles, medicaments comprising them, their use and process for their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-05-14 EP claimed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO claimed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US claimed
US-8399461-B2 Bicyclic heterocycles, medicaments containing said compounds, use thereof, and method for production of same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-19 US disclosed
EP-2373329-A2 USE OF EPIDERMAL GROWTH FACTOR INHIBITORS IN THE TREATMENT OF VIRAL INFECTION The Regents of the University of California (US) 2011-10-12 EP disclosed
US-20110236349-A1 Use of Epidermal Growth Factor Inhibitors in the Treatment of Viral Infection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-09-29 US disclosed
US-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 US disclosed
EP-2091925-B1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INT (DE) 2011-04-06 EP disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
WO-2004094404-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-11-04 WO disclosed
US-20040204426-A1 4-Imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-10-14 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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 (6 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-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BPHL, CYP11B2, CYP11B1 EPHX1 3599/4885MAPT 498/4885MEN1 1093/4885
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 EPHX1 2805/4885MAPT 410/4885MEN1 1036/4885
US-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 EPHX1 4285/4885MAPT 748/4885MEN1 1634/4885
US-20040204426-A1 4-Imidazolin-2-one compounds NR3C1, NR3C2, SCN1B EPHX1 3905/4885MAPT 4542/4885MEN1 728/4885
US-20110236349-A1 Use of Epidermal Growth Factor Inhibitors in the Treatment of Viral Infection EGFR, HDGF, HGF EPHX1 2799/4885MAPT 3293/4885MEN1 1955/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR EPHX1 4704/4885MAPT 400/4885MEN1 697/4885

“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.