SCHEMBL1639872

SCHEMBL1639872

Cc1ccc(-c2cnc3cc(CCN4CCCCC4)cnc3c2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 8/20 0.40
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.39
MELK Q14680 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
USP14 P54578 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL1641228 0.99 HRH3 (0.40) CYP1A2CYP2D6HRH3KCNH2ATM
SCHEMBL1640230 0.82 HRH3 (0.62) HRH3KCNH2
SCHEMBL1639765 0.75 P2RX3 (0.42) CYP1A2CYP2D6HRH3KCNH2CYP3A4
SCHEMBL1639946 0.73 P2RX3 (0.43) CYP1A2CYP2D6HRH3KCNH2CYP3A4
SCHEMBL1640500 0.71 CYP1A2 (0.45) CYP1A2CYP2D6HRH3KCNH2CYP3A4
SCHEMBL8281118 0.70 HRH3 (0.61) CYP1A2CYP2D6HRH3CYP3A4SIGMAR1
SCHEMBL1641114 0.69 HRH3 (0.44) CYP1A2CYP2D6HRH3KCNH2CYP3A4
SCHEMBL227159 0.63 HRH3 (0.56) CYP1A2CYP2D6HRH3CYP3A4SIGMAR1
SCHEMBL4625412 0.62 HRH3 (0.54) CYP1A2CYP2D6HRH3CYP3A4SIGMAR1
SCHEMBL3387770 0.61 HRH3 (0.51) CYP2D6HRH3TDP1S1PR1

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 CYP1A2 1051/4885CYP2D6 1007/4885HRH3 1/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 CYP1A2 1051/4885CYP2D6 1007/4885HRH3 1/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 CYP1A2 1051/4885CYP2D6 1007/4885HRH3 1/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 CYP1A2 838/4885CYP2D6 908/4885HRH3 1/4885

“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.