SCHEMBL1561997

SCHEMBL1561997

COC(=O)N(C)C1CC[CH]CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.36
CCR5 P51681 1/20 0.34
ATM Q13315 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
TACR1 P25103 1/20 0.31
ACHE P22303 1/20 0.31
RAB9A P51151 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL16375382 0.85
SCHEMBL14752962 0.83 ATM (0.41) JAK1ATMALDH1A1MAPTGAA
SCHEMBL24043005 0.81 ATM (0.43) ATMALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1562179 0.79 CA12 (0.37) ALDH1A1MAPTSMN1; SMN2RAB9APDE10A
SCHEMBL1562042 0.79 HSD11B1 (0.42) JAK1RAB9APDE10A
SCHEMBL304311 0.79 ATM (0.46) ATMALDH1A1MAPTGAASMN1; SMN2
SCHEMBL12549405 0.78 JAK1 (0.40) JAK1CCR5ATMHRH3ALDH1A1
SCHEMBL12548977 0.78 JAK1 (0.40) JAK1CCR5ATMHRH3ALDH1A1
SCHEMBL12385847 0.78 JAK1 (0.37) JAK1CCR5ATMHRH3ALDH1A1
SCHEMBL1561877 0.77 DPP4 (0.36) ATMALDH1A1HPGDRAB9A

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 21 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-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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US 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 (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-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BPHL, CYP11B2, CYP11B1 JAK1 85/4885CCR5 3405/4885ATM 566/4885
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 JAK1 183/4885CCR5 1827/4885ATM 540/4885
US-20110236349-A1 Use of Epidermal Growth Factor Inhibitors in the Treatment of Viral Infection EGFR, HDGF, HGF JAK1 899/4885CCR5 119/4885ATM 3037/4885

“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.