SCHEMBL4823917

SCHEMBL4823917

O=C(Cl)NN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
EPHX2 P34913 1/20 0.39
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CHKA P35790 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
HSD11B1 P28845 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SIGMAR1 Q99720 4/20 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
Hydrochloric Acid SCHEMBL3258527 0.98 GNAI3 (0.47) GNAI3GNAO1GNAI1EPHX2CA2
SCHEMBL10403133 0.78 GNAI3 (0.46) GNAI3GNAO1GNAI1EPHX2CA2
SCHEMBL3267951 0.78 GNAI3 (0.46) GNAI3GNAO1GNAI1EPHX2CA2
SCHEMBL364908 0.77
SCHEMBL8897925 0.76 GNAI3 (0.44) GNAI3GNAO1GNAI1EPHX2CA2
SCHEMBL1459326 0.76 GNAI3 (0.44) GNAI3GNAO1GNAI1EPHX2CA2
SCHEMBL1394575 0.76 GNAI3 (0.49) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL7430647 0.75 HTT (0.45) POLB
SCHEMBL2891503 0.75 HTT (0.45) POLB
SCHEMBL29108006 0.74 GNAI3 (0.47) GNAI3GNAO1GNAI1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456173-B2 Compositions comprising zopiclone derivatives and methods of making and using the same SEPRACOR INC. (US) 2008-11-25 US disclosed
US-7189715-B2 Compositions comprising zopiclone derivatives and methods of making and using the same SEPRACOR INC. (US) 2007-03-13 US disclosed
US-20070049590-A1 Compositions comprising zopiclone derivatives and methods of making and using the same ALTER DOMUS (US) LLC 2007-03-01 US disclosed
EP-1089973-B1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
US-20040147521-A1 Compositions comprising zopiclone derivatives and methods of making and using the same ALTER DOMUS (US) LLC 2004-07-29 US disclosed
WO-2004037212-A2 COMPOSITIONS COMPRISING ZOPICLONE DERIVATIVES AND METHODS OF MAKING AND USING THE SAME SEPRACOR, INC. (US) 2004-05-06 WO disclosed
US-6335324-B1 TREATING ASTHMA OR ALLERGIC RHINITIS BRISTOL-MYERS SQUIBB CO. 2002-01-01 US disclosed
EP-1089973-A4 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
EP-1089973-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-11 EP disclosed
WO-1999067215-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-29 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 (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-20070049590-A1 Compositions comprising zopiclone derivatives and methods of making and using the same CYP51A1, CYP3A43, HSD17B7 GNAI3 930/4885GNAO1 879/4885GNAI1 1692/4885
US-20040147521-A1 Compositions comprising zopiclone derivatives and methods of making and using the same CYP51A1, CYP3A43, CYP4A11 GNAI3 1161/4885GNAO1 777/4885GNAI1 1371/4885

“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.