SCHEMBL2160833

SCHEMBL2160833

CC(N)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.50
KIF11 P52732 2/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7695255 0.79 CA1 (0.36) KCNN4TDP1
SCHEMBL10675289 0.77 KCNN4 (0.50) KCNN4KIF11CYP1A2CYP2D6TAAR1
SCHEMBL9025613 0.77 KCNN4 (0.50) KCNN4KIF11CYP1A2CYP2D6TAAR1
SCHEMBL4495324 0.77 KCNN4 (0.50) KCNN4KIF11CYP1A2CYP2D6SLC6A4
SCHEMBL16673174 0.77 KCNN4 (0.50) KCNN4KIF11CYP1A2CYP2D6TAAR1
SCHEMBL19381442 0.74 KCNN4 (0.46) KCNN4KIF11CYP1A2CYP2D6SLC6A4
SCHEMBL16609226 0.74 KCNN4 (0.52) KCNN4KIF11TAAR1SLC6A3SIGMAR1
SCHEMBL7556522 0.74 KCNN4 (0.46) KCNN4KIF11CYP1A2CYP2D6SLC6A4
SCHEMBL6566499 0.74 KCNN4 (0.52) KCNN4KIF11TAAR1SLC6A3SIGMAR1
SCHEMBL2552806 0.72 KCNN4 (0.45) KCNN4KIF11CYP1A2CYP2D6SLC6A4

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
US-20150099808-A1 AMPHIPHILIC COPOLYMERS AND COMPOSITIONS CONTAINING SUCH POLYMERS NIRVANA'S TREE HOUSE B.V. (NL) 2015-04-09 US disclosed
US-20110182813-A1 AMPHIPHILIC COPOLYMERS AND COMPOSITIONS CONTAINING SUCH POLYMERS NIRVANA'S TREE HOUSE B.V. (NL) 2011-07-28 US disclosed
EP-2195366-A1 AMPHIPHILIC COPOLYMERS AND COMPOSITIONS CONTAINING SUCH POLYMERS Nirvana's Tree House B.v. (NL) 2010-06-16 EP disclosed
EP-2042538-A1 Amphiphilic copolymers and compositions containing such polymers Nirvana's Tree House (NL) 2009-04-01 EP disclosed
WO-2009037313-A1 AMPHIPHILIC COPOLYMERS AND COMPOSITIONS CONTAINING SUCH POLYMERS NIRVANA'S TREE HOUSE B.V. (NL) 2009-03-26 WO disclosed
US-7005123-B1 Functional poly-α-amino-acid derivatives useful for the modification of biologically active materials and their application UNIVERSITEIT GENT (BE) 2006-02-28 US disclosed
EP-1189971-B1 FUNCTIONAL POLY-ALPHA-AMINOACID DERIVATIVES USEFUL FOR THE MODIFICATION OF BIOLOGICALLY ACTIVE MATERIALS AND THEIR APPLICATION UNIV GENT (BE) 2005-03-09 EP disclosed
EP-1189971-A2 FUNCTIONAL POLY-ALPHA-AMINOACID DERIVATIVES USEFUL FOR THE MODIFICATION OF BIOLOGICALLY ACTIVE MATERIALS AND THEIR APPLICATION UNIVERSITEIT GENT (BE) 2002-03-27 EP disclosed
WO-2000078791-A2 FUNCTIONAL POLY-α-AMINOACID DERIVATIVES USEFUL FOR THE MODIFICATION OF BIOLOGICALLY ACTIVE MATERIALS AND THEIR APPLICATION UNIVERSITEIT GENT (BE) 2000-12-28 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-20110182813-A1 AMPHIPHILIC COPOLYMERS AND COMPOSITIONS CONTAINING SUCH POLYMERS GLUL, ASNS, ARGLU1 KCNN4 4093/4885KIF11 1618/4885CYP1A2 4855/4885
US-20150099808-A1 AMPHIPHILIC COPOLYMERS AND COMPOSITIONS CONTAINING SUCH POLYMERS GLUL, ASNS, ARGLU1 KCNN4 4093/4885KIF11 1618/4885CYP1A2 4855/4885

“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.