Sugi Predict

Sugi Predict / Compounds / SCHEMBL489060

SCHEMBL489060

SCHEMBL489060

CC(=O)c1cccc(B(OB(O)c2ccc(C#N)cc2)OB(O)c2ccc(C#N)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ENPP2 Q13822 2/20 0.38
▸ SIRT2 Q8IXJ6 3/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ P4HB P07237 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GSK3B P49841 2/20 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
SCHEMBL489059 0.82 ENPP2 (0.56) ALDH1A1MAPTENPP2SIRT2LMNA
SCHEMBL489487 0.71 ENPP2 (0.46) ENPP2MEN1KMT2AP4HBMAOB
SCHEMBL30239069 0.70 GSK3B (0.61) ALDH1A1MAPTENPP2MEN1KMT2A
SCHEMBL39137 0.70 GSK3B (0.61) ALDH1A1MAPTENPP2MEN1KMT2A
SCHEMBL22801094 0.70 KAT6A (0.56) ALDH1A1MAPTLMNASMN1; SMN2MAOB
SCHEMBL29581421 0.70 ALDH1A1 (0.42) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL105228 0.69 ENPP2 (0.48) ALDH1A1ENPP2LMNASMN1; SMN2MEN1
SCHEMBL4323915 0.68 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL20221426 0.67 ALDH1A1 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2MEN1
SCHEMBL22801110 0.67 KMT2A (0.54) ALDH1A1MAPTSIRT2POLBSMN1; SMN2

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 ALDH1A1 803/4885MAPT 3194/4885ENPP2 1179/4885
US-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ALDH1A1 1474/4885MAPT 2699/4885ENPP2 718/4885
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 ALDH1A1 1596/4885MAPT 983/4885ENPP2 1898/4885
US-20060142325-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 ALDH1A1 1474/4885MAPT 2699/4885ENPP2 718/4885
US-20080119520-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ALDH1A1 1474/4885MAPT 2699/4885ENPP2 718/4885
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands HRH3, HRH4, HRH2 ALDH1A1 1474/4885MAPT 2699/4885ENPP2 718/4885
US-20040224952-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ALDH1A1 803/4885MAPT 3194/4885ENPP2 1179/4885

“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.