SCHEMBL1640995

SCHEMBL1640995

CS(=O)(=O)OCCc1ccc2cc(-c3ccc(F)nc3F)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
PTGS2 P35354 2/20 0.36
LIPG Q9Y5X9 3/20 0.35
LIPC P11150 1/20 0.35
FFAR4 Q5NUL3 4/20 0.35
ABL1 P00519 1/20 0.31
GRM5 P41594 2/20 0.31
DYRK3 O43781 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
CDK1 P06493 1/20 0.30
ROS1 P08922 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
AKT1 P31749 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3B P49841 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
SCHEMBL1639783 0.80 GRIA2 (0.38) PTGS2FFAR4ABL1
SCHEMBL1640250 0.77 CNR1 (0.38) CNR1LIPGLIPCFFAR4ABL1
SCHEMBL1641230 0.75 DYRK3 (0.39) PTGS2FFAR4ABL1DYRK3ROCK2
SCHEMBL1641253 0.75 PTGS2 (0.39) PTGS2FFAR4DYRK3ROCK2PRKD3
SCHEMBL1713703 0.73 CYP1A2 (0.47) PTGS2
SCHEMBL1641419 0.73 PTGS2 (0.40) PTGS2FFAR4DYRK3ROCK2PRKD3
SCHEMBL1640249 0.73 KCNH2 (0.39) PTGS2FFAR4ABL1DYRK3ROCK2
SCHEMBL1639788 0.73 P2RX3 (0.47) PTGS2
SCHEMBL1640275 0.72 PTGS2 (0.36) PTGS2LIPGLIPCFFAR4CLK2
SCHEMBL1640405 0.72 HRH3 (0.59)

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 10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CNR1 15/4885PTGS2 1439/4885LIPG 2758/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 CNR1 15/4885PTGS2 1439/4885LIPG 2758/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 CNR1 15/4885PTGS2 1439/4885LIPG 2758/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 CNR1 12/4885PTGS2 1493/4885LIPG 3355/4885

“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.