SCHEMBL1639765

SCHEMBL1639765

COc1ncc(-c2cnc3cc(CCN4CCCCC4)cnc3c2)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
HRH3 Q9Y5N1 5/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2A P28223 1/20 0.36
PLAU P00749 1/20 0.35
HSD11B1 P28845 1/20 0.35
PIK3CA P42336 1/20 0.35
S1PR1 P21453 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL1639946 0.99 P2RX3 (0.43) P2RX3QPCTQPCTLHRH3CYP1A2
SCHEMBL1639597 0.83 HRH3 (0.56) HRH3KCNH2
SCHEMBL1639872 0.75 CYP1A2 (0.41) HRH3CYP1A2CYP2D6KCNH2S1PR1
SCHEMBL1641228 0.73 HRH3 (0.40) HRH3CYP1A2CYP2D6KCNH2S1PR1
SCHEMBL1640500 0.69 CYP1A2 (0.45) HRH3CYP1A2CYP2D6KCNH2HTR2A
SCHEMBL1641114 0.67 HRH3 (0.44) HRH3CYP1A2CYP2D6KCNH2SIGMAR1
SCHEMBL1639921 0.65 HRH3 (0.64) HRH3KCNH2
SCHEMBL2745470 0.65 QPCT (0.46) P2RX3QPCTQPCTLCYP1A2HSD11B1
SCHEMBL31010124 0.63 GAA (0.50) HRH3ALDH1A1TSHR
SCHEMBL8034431 0.63 QPCT (0.46) P2RX3QPCTQPCTLPLAUHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US claimed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US claimed
JP-2006514926-A 2006-05-18 JP claimed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP claimed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US claimed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO claimed
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.