SCHEMBL488965

SCHEMBL488965

CCOC(=O)C1=C(O)Nc2cc(Br)ccc2S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
MAPT P10636 9/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALOX12 P18054 1/20 0.50
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL489387 0.90 MAPT (0.60) GAAMAPTMEN1KMT2AALOX12
SCHEMBL28407357 0.66 SNCA (0.47) GAAMAPTMEN1KMT2AALOX12
SCHEMBL4003937 0.65 CA12 (0.70) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL2313707 0.65 CA12 (0.70) MAPTMEN1KMT2AALDH1A1ALOX15
SCHEMBL31083917 0.65 CA12 (0.70) MAPTMEN1KMT2AALDH1A1ALOX15
SCHEMBL14321044 0.65 ALDH1A1 (0.54) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL234030 0.65 TSHR (0.60) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL17022287 0.64 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL5273471 0.64 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL289045 0.64 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1HSD17B10

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 26 patents — showing the first 20. 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-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
US-8106088-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-01-31 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-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-7358263-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-7358263-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-04-15 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 (6 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 GAA 1962/4885MAPT 3194/4885MEN1 1093/4885
US-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 GAA 1593/4885MAPT 2699/4885MEN1 1649/4885
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 GAA 1225/4885MAPT 983/4885MEN1 2046/4885
US-20060142325-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 GAA 1593/4885MAPT 2699/4885MEN1 1649/4885
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands HRH3, HRH4, HRH2 GAA 1593/4885MAPT 2699/4885MEN1 1649/4885
US-20040224952-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 GAA 1962/4885MAPT 3194/4885MEN1 1093/4885

“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.