SCHEMBL1561816

SCHEMBL1561816

CN(C(=O)N1CCNCC1)C1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MCHR1 Q99705 4/20 0.37
HSD11B1 P28845 2/20 0.36
CHKA P35790 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
EPHX2 P34913 1/20 0.33
JAK1 P23458 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HSD11B2 P80365 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL3 Q96JM7 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
SCHEMBL8541139 0.88 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30967375 0.86 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30967349 0.85 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30967383 0.83 CA2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30967376 0.82 ALDH1A1 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1561145 0.82 HTR1A (0.43) MCHR1HSD11B1
SCHEMBL1561258 0.81 MAPT (0.47) CA12CA1CA9MCHR1USP30
SCHEMBL30967385 0.81 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28960167 0.77 CA2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1562085 0.74 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 15 patents. 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
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
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
WO-2010123527-A2 USE OF EPIDERMAL GROWTH FACTOR INHIBITORS IN THE TREATMENT OF VIRAL INFECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-28 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CHRNB2 2484/4885CHRNA3 3703/4885CHRNA4 3752/4885
US-20110236349-A1 Use of Epidermal Growth Factor Inhibitors in the Treatment of Viral Infection EGFR, HDGF, HGF CHRNB2 4472/4885CHRNA3 4543/4885CHRNA4 4632/4885

“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.