SCHEMBL1640209

SCHEMBL1640209

OCCC1=Cc2cc(Br)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
PNMT P11086 6/20 0.36
ALOX5 P09917 1/20 0.34
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
METAP1 P53582 1/20 0.32
TDP2 O95551 1/20 0.31
ASIC3 Q9UHC3 1/20 0.30

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
SCHEMBL2974941 0.84 TRPA1 (0.37) TRPA1PNMTALOX5CMA1AHR
SCHEMBL2964973 0.81 TRPA1 (0.36) TRPA1PNMTCMA1AHRHTR1A
SCHEMBL2969428 0.80 TRPA1 (0.35) TRPA1PNMT
SCHEMBL2964680 0.80 TRPA1 (0.39) TRPA1PNMTALOX5CMA1AHR
SCHEMBL2974541 0.79 TRPA1 (0.34) TRPA1PNMTALOX5HTR2A
SCHEMBL2974889 0.79 TRPA1 (0.34) TRPA1PNMTALOX5HTR2A
SCHEMBL2971444 0.79 TRPA1 (0.34) TRPA1PNMTALOX5HTR2A
SCHEMBL2970635 0.79 TRPA1 (0.34) TRPA1PNMTALOX5HTR2A
SCHEMBL2969538 0.79 TRPA1 (0.34) TRPA1PNMTALOX5HTR2A
SCHEMBL6067754 0.78 ALOX5 (0.37) TRPA1ALOX5CMA1AHRMETAP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US disclosed
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 US disclosed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 US disclosed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO disclosed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 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 (5 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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 TRPA1 488/4885PNMT 351/4885ALOX5 1255/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 TRPA1 488/4885PNMT 351/4885ALOX5 1255/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 TRPA1 488/4885PNMT 351/4885ALOX5 1255/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 TRPA1 466/4885PNMT 392/4885ALOX5 1293/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 TRPA1 440/4885PNMT 402/4885ALOX5 1508/4885

“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.