SCHEMBL1639788

SCHEMBL1639788

COc1ncc(-c2ccc3cc(CCOS(C)(=O)=O)ccc3c2)c(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.47
QPCT Q16769 1/20 0.45
QPCTL Q9NXS2 1/20 0.45
PPARD Q03181 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
PTGS2 P35354 2/20 0.38
LDHA P00338 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
FTO Q9C0B1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
HSD11B1 P28845 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL1639532 0.82 QPCT (0.50) P2RX3QPCTQPCTLPPARDPTGES2
SCHEMBL1641419 0.75 PTGS2 (0.40) PTGS2FTOPIK3CDPIK3CAPIK3CB
SCHEMBL1640249 0.75 KCNH2 (0.39) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1641253 0.74 PTGS2 (0.39) PPARDPTGS2CYP1A2CYP3A4
SCHEMBL1641230 0.74 DYRK3 (0.39) P2RX3PTGS2CYP11B1CYP11B2CYP1A2
SCHEMBL1639783 0.74 GRIA2 (0.38) PTGS2
SCHEMBL1639648 0.73 PTGS2 (0.41) PTGS2MEN1KMT2A
SCHEMBL1640995 0.73 CNR1 (0.39) PTGS2
SCHEMBL10451442 0.72 PTGS2 (0.50) PTGS2ATMKDM4EAPLNRCYP1A2
SCHEMBL1639921 0.72 HRH3 (0.64)

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 P2RX3 182/4885QPCT 1514/4885QPCTL 3326/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 P2RX3 182/4885QPCT 1514/4885QPCTL 3326/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 P2RX3 182/4885QPCT 1514/4885QPCTL 3326/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 P2RX3 237/4885QPCT 2059/4885QPCTL 3941/4885

“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.