SCHEMBL1639532

SCHEMBL1639532

COc1ncc(-c2ccc3cc(CCO)ccc3c2)c(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.50
QPCTL Q9NXS2 1/20 0.50
P2RX3 P56373 1/20 0.49
FTO Q9C0B1 1/20 0.43
PPARD Q03181 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 1/20 0.39
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
GRM2 Q14416 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL1639788 0.82 P2RX3 (0.47) QPCTQPCTLP2RX3FTOPPARD
SCHEMBL14466720 0.79 QPCT (0.50) QPCTQPCTLP2RX3PPARDNPSR1
SCHEMBL2759587 0.78 QPCT (0.52) QPCTQPCTLP2RX3PPARDNPSR1
SCHEMBL1639921 0.77 HRH3 (0.64)
SCHEMBL16675754 0.76 QPCT (0.51) QPCTQPCTLP2RX3PPARDNPSR1
SCHEMBL19413896 0.75 QPCT (0.47) QPCTQPCTLP2RX3PPARDNPSR1
SCHEMBL16104488 0.73 QPCT (0.56) QPCTQPCTLP2RX3FTOPPARD
SCHEMBL29809511 0.72 HSD11B1 (0.57) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL4743846 0.72 HSD11B1 (0.57) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL15677872 0.72 PPARD (0.51) QPCTQPCTLP2RX3PPARDNPSR1

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

“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.