SCHEMBL2186140

SCHEMBL2186140

Cc1ccc2c(c1)c1cc(Br)ccc1n2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
GSK3B P49841 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA1 P14867 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRA6 Q16445 1/20 0.44
NR1H2 P55055 4/20 0.38
ELANE P08246 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
IDO1 P14902 1/20 0.38
DNM1 Q05193 1/20 0.38
CACNA1B Q00975 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL409607 0.93 CDK1 (0.54) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL802084 0.86 CDK1 (0.54) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL29357718 0.86 CDK1 (0.54) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL15280123 0.84 CHRM2 (0.50) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3197264 0.84 CDK1 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL18941218 0.83 CDK1 (0.49) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2186936 0.83 CCNB2 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL13080509 0.82 GABRG2 (0.44) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL23723352 0.81 CDK1 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1920073 0.81 CDK1 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3

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
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-7612036-B2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2009-11-03 US disclosed
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 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 (4 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 CCNB2 1662/4885CDK1 1001/4885CCNB1 1500/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 CCNB2 1662/4885CDK1 1001/4885CCNB1 1500/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 CCNB2 1662/4885CDK1 1001/4885CCNB1 1500/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 CCNB2 1662/4885CDK1 1001/4885CCNB1 1500/4885

“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.