SCHEMBL488914

SCHEMBL488914

NSSc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
FBP1 P09467 1/20 0.41
MAOA P21397 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 2/20 0.38
HAO1 Q9UJM8 1/20 0.33
CA2 P00918 1/20 0.33
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
IDO1 P14902 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
PLAU P00749 1/20 0.32
MAPT P10636 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL224947 0.82 CYP2A6 (0.57) CYP2A6ALDH1A1ALOX15MAPK1FBP1
Water SCHEMBL28293836 0.79 CYP2A6 (0.53) CYP2A6ALDH1A1ALOX15MAPK1FBP1
SCHEMBL17623933 0.77
SCHEMBL10899441 0.74 MAOA (0.56) CYP2A6ALDH1A1ALOX15MAPK1FBP1
SCHEMBL943735 0.74 ALDH1A1 (0.52) CYP2A6ALDH1A1ALOX15MAPK1FBP1
SCHEMBL27923318 0.74 FBP1 (0.42) CYP2A6ALDH1A1ALOX15MAPK1FBP1
SCHEMBL26194809 0.72 CYP2A6 (0.44) CYP2A6ALDH1A1ALOX15MAPK1FBP1
SCHEMBL27733023 0.72 LMNA (0.44) CYP2A6ALDH1A1ALOX15FBP1MAOA
SCHEMBL1534245 0.71
SCHEMBL19735872 0.70 ALDH1A1 (0.68) CYP2A6ALDH1A1MAPK1FBP1MAOA

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 14 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

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 CYP2A6 1640/4885ALDH1A1 803/4885ALOX15 1637/4885
US-20100298291-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 CYP2A6 1864/4885ALDH1A1 1474/4885ALOX15 1760/4885
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 CYP2A6 2266/4885ALDH1A1 1596/4885ALOX15 987/4885
US-20060142325-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 CYP2A6 1864/4885ALDH1A1 1474/4885ALOX15 1760/4885
US-20080119520-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 CYP2A6 1864/4885ALDH1A1 1474/4885ALOX15 1760/4885
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands HRH3, HRH4, HRH2 CYP2A6 1864/4885ALDH1A1 1474/4885ALOX15 1760/4885

“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.