SCHEMBL3057572

SCHEMBL3057572

CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cn2)CC1

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.92
SLC6A4 P31645 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SCN9A Q15858 1/20 0.48
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3057575 0.96 HRH3 (1.00) HRH3SLC6A4SLC6A2SLC6A3SCN9A
Trifluoroacetic Acid SCHEMBL2963867 0.90 HRH3 (0.88) HRH3SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL2977048 0.81 HRH3 (1.00) HRH3SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL2970126 0.81 HRH3 (0.92) HRH3SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL3057577 0.80 HRH3 (0.63) HRH3SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL3062757 0.79 HRH3 (0.62) HRH3SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL3082452 0.79 HRH3 (1.00) HRH3SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2976112 0.79 HRH3 (0.61) HRH3SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL3074418 0.79 HRH3 (0.61) HRH3SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL3076012 0.78 HRH3 (0.94) HRH3SLC6A4SLC6A2SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321729-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2016-04-26 US disclosed
US-20150087635-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 US disclosed
US-8940731-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2015-01-27 US disclosed
US-20140107105-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2014-04-17 US disclosed
US-8637520-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
US-20100267701-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 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 (3 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-20150087635-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SLC6A4 639/4885SLC6A2 752/4885
US-20100267701-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SLC6A4 639/4885SLC6A2 752/4885
US-20140107105-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SLC6A4 639/4885SLC6A2 752/4885

“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.