SCHEMBL6067754

SCHEMBL6067754

O=C(O)CC1=Cc2cc(Br)ccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
TRPA1 O75762 1/20 0.36
APEX1 P27695 1/20 0.35
SRD5A2 P31213 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SRD5A1 P18405 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.34
PTGDR Q13258 1/20 0.34
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMO O15229 1/20 0.33
METAP1 P53582 1/20 0.33
AKR1B1 P15121 1/20 0.32
GPR17 Q13304 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
SCHEMBL7855024 0.87 SRD5A2 (0.37) ALOX5APEX1SRD5A2MEN1KMT2A
SCHEMBL1640209 0.78 TRPA1 (0.38) ALOX5TRPA1CMA1AHRMETAP1
SCHEMBL30267701 0.76 MAOA (0.50) MEN1KMT2AKDM4ETDP1AKR1B1
SCHEMBL4209768 0.76 MAOA (0.50) MEN1KMT2AKDM4ETDP1AKR1B1
SCHEMBL2964680 0.76 TRPA1 (0.39) ALOX5TRPA1CMA1AHRMETAP1
SCHEMBL3093660 0.75 SRD5A1 (0.40) TRPA1APEX1SRD5A2MEN1KMT2A
SCHEMBL2974941 0.73 TRPA1 (0.37) ALOX5TRPA1CMA1AHRMETAP1
SCHEMBL2964973 0.71 TRPA1 (0.36) TRPA1CMA1AHR
SCHEMBL2969428 0.70 TRPA1 (0.35) TRPA1
SCHEMBL2974889 0.69 TRPA1 (0.34) ALOX5TRPA1MEN1KMT2AKDM4E

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 6 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-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 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 (2 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-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ALOX5 1293/4885TRPA1 466/4885APEX1 4312/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ALOX5 1508/4885TRPA1 440/4885APEX1 4207/4885

“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.