SCHEMBL489285

SCHEMBL489285

N#Cc1ccc(B(O)OB(OB(O)c2ccc(C#N)cc2)c2ccco2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
HTT P42858 2/20 0.36
MYC P01106 3/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL489283 0.78 ENPP2 (0.63) ENPP2HTTMYCCA12CA2
SCHEMBL489487 0.70 ENPP2 (0.46) ENPP2CA12CA2CA3CA6
SCHEMBL489334 0.70 ENPP2 (0.42) ENPP2TP53
SCHEMBL2405727 0.67 ENPP2 (0.73) ENPP2CA12CA2CA3CA6
SCHEMBL27532994 0.67 ENPP2 (0.59) ENPP2CA12CA2CA3CA6
SCHEMBL21133795 0.67 ENPP2 (0.59) ENPP2CA12CA2CA3CA6
SCHEMBL28075992 0.67 ENPP2 (0.59) ENPP2HTTCA12CA2CA3
SCHEMBL489060 0.66 ALDH1A1 (0.42) ENPP2
SCHEMBL23797214 0.64 ENPP2 (0.55) ENPP2CA12CA2CA3CA6
SCHEMBL6016 0.63 ENPP2 (1.00) ENPP2CA12CA2CA3CA6

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-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
US-8106088-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-01-31 US disclosed
EP-2311831-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands Abbott Laboratories (US) 2011-04-20 EP disclosed
EP-1620434-B1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-03-09 EP disclosed
US-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-7807697-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2010-10-05 US disclosed
US-20080119520-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-05-22 US disclosed
US-7358263-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-7094790-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-08-22 US disclosed
US-20060142325-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-06-29 US disclosed
EP-1620434-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2006-02-01 EP disclosed
US-20040248899-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-12-09 US disclosed
WO-2004101559-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-20040224953-A1 e.g., 4-{2-[2-(2-(R)-Methyl-pyrrolidin-1-yl)-ethyl]-benzothiazol-5-yl}-benzonitrile; useful for treating conditions and disorders related to memory and cognition processes, neurological processes, cardiovascular function, and body weight. ABBOTT LABORATORIES 2004-11-11 US disclosed
US-20040224952-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-11-11 US 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 (7 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-20040248899-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ENPP2 1179/4885HTT 2416/4885MYC 4062/4885
US-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ENPP2 718/4885HTT 1950/4885MYC 3630/4885
US-20040224953-A1 e.g., 4-{2-[2-(2-(R)-Methyl-pyrrolidin-1-yl)-ethyl]-benzothiazol-5-yl}-benzonitrile; useful for treating conditions and disorders related to memory and cognition processes, neurological processes, cardiovascular function, and body weight. HRH4, HRH3, HRH2 ENPP2 1898/4885HTT 526/4885MYC 4461/4885
US-20060142325-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 ENPP2 718/4885HTT 1950/4885MYC 3630/4885
US-20080119520-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ENPP2 718/4885HTT 1950/4885MYC 3630/4885
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands HRH3, HRH4, HRH2 ENPP2 718/4885HTT 1950/4885MYC 3630/4885
US-20040224952-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ENPP2 1179/4885HTT 2416/4885MYC 4062/4885

“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.