SCHEMBL1316879

SCHEMBL1316879

CNC(=O)[CH][C@H](C)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 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
SCHEMBL15917920 1.00 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL7353928 1.00 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL3789962 0.76
SCHEMBL14300718 0.76
SCHEMBL3195573 0.76
SCHEMBL5093472 0.76
SCHEMBL21053482 0.74
SCHEMBL15428858 0.73 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15428875 0.73 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1516261 0.72 MAP3K7 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-8338367-B2 Fused heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
WO-2010056585-A2 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-20 WO disclosed
WO-2010045190-A1 FUSED HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 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-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 CHRNB2 4662/4885CHRNB4 4707/4885CHRNA3 4315/4885
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS CHRNB2 4043/4885CHRNB4 4275/4885CHRNA3 3031/4885

“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.