SCHEMBL2785494

SCHEMBL2785494

CC(=O)c1ccn(-c2ccc3oc(CCN4CCCC4C)cc3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.67
CHRM2 P08172 2/20 0.60
CHRM4 P08173 2/20 0.60
CHRM5 P08912 2/20 0.60
CHRM1 P11229 2/20 0.60
CHRM3 P20309 2/20 0.60
HRH2 P25021 2/20 0.60
HTR1D P28221 2/20 0.60
HTR2A P28223 2/20 0.60
HRH1 P35367 2/20 0.60
HTR1A P08908 1/20 0.60
HTR2B P41595 1/20 0.60
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL2785496 1.00 HRH3 (0.67) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2785748 0.86 HRH3 (0.62) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2785743 0.86 HRH3 (0.62) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2785374 0.83 HRH3 (0.65) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2785375 0.83 HRH3 (0.65) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2785131 0.80 HRH3 (1.00) HRH3
SCHEMBL2786126 0.79 HRH3 (0.59) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2785537 0.79 HRH3 (0.61) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2787598 0.77 HRH3 (0.85) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2784779 0.77 HRH3 (1.00) HRH3CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US claimed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US claimed
EP-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 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 (2 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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 HRH3 1/4885CHRM2 83/4885CHRM4 221/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885CHRM2 90/4885CHRM4 243/4885

“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.