SCHEMBL1640239

SCHEMBL1640239

c1cncc(-c2ccc3cc(OCCN4CCCC4)ccc3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.64
CHRNA4 P43681 1/20 0.64
CYP11B2 P19099 4/20 0.61
CYP19A1 P11511 3/20 0.61
CYP11B1 P15538 3/20 0.61
LTA4H P09960 6/20 0.58
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
CYP17A1 P05093 3/20 0.54
BACE1 P56817 1/20 0.54
BRAF P15056 1/20 0.53
PTGS2 P35354 1/20 0.51
DYRK1A Q13627 2/20 0.51
GSK3B P49841 1/20 0.51
CLK2 P49760 1/20 0.51
CLK3 P49761 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL1640409 0.81 CYP11B2 (0.56) CHRNB2CYP11B2CYP19A1CYP11B1CYP17A1
SCHEMBL4094281 0.81 HRH3 (0.72) CHRNB2CHRNA4CYP19A1FLT1FLT4
SCHEMBL4512812 0.79 CYP11B2 (0.79) CYP11B2CYP19A1CYP11B1CYP17A1
SCHEMBL7411609 0.79 CHRNB2 (1.00) CHRNB2CHRNA4LTA4HPTGS2
SCHEMBL8122919 0.78 ACHE (0.65) CHRNB2CHRNA4LTA4HFLT1FLT4
SCHEMBL6267621 0.78 CYP11B2 (0.60) CHRNB2CYP11B2CYP19A1CYP11B1CYP17A1
SCHEMBL1640934 0.77 ESR1 (0.60) LTA4HBACE1HRH3
SCHEMBL4511117 0.76 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1CYP17A1
SCHEMBL11151279 0.76 HRH3 (0.81) LTA4HBACE1HRH3
SCHEMBL30186207 0.76 HRH3 (0.81) LTA4HBACE1HRH3

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 19 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-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 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-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 US 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
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 (5 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 CHRNB2 350/4885CHRNA4 269/4885CYP11B2 1695/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 CHRNB2 350/4885CHRNA4 269/4885CYP11B2 1695/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 CHRNB2 350/4885CHRNA4 269/4885CYP11B2 1695/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 CHRNB2 364/4885CHRNA4 254/4885CYP11B2 1425/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 CHRNB2 388/4885CHRNA4 288/4885CYP11B2 1667/4885

“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.