SCHEMBL2221039

SCHEMBL2221039

CC(C)N1CCN(C(=O)c2ccc3c(CN4CCN(CCc5ccccc5)CC4)c[nH]c3c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.73
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPK14 Q16539 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2216244 0.93 HRH3 (0.79) HRH3LMNAKDM4EMEN1KMT2A
SCHEMBL2219924 0.91 HRH3 (0.81) HRH3LMNAKDM4EKMT2A
SCHEMBL2266831 0.87 HRH3 (0.76) HRH3LMNAKDM4EKMT2AMAPK14
SCHEMBL2218283 0.87 HRH3 (0.76) HRH3LMNAKDM4EKMT2A
SCHEMBL2217566 0.86 HRH3 (0.71) HRH3LMNAKDM4EMEN1KMT2A
SCHEMBL2214915 0.86 HRH3 (0.83) HRH3LMNAKDM4E
SCHEMBL2218073 0.86 HRH3 (0.98) HRH3LMNA
SCHEMBL27774648 0.85 HRH3 (0.81) HRH3LMNAKDM4E
SCHEMBL2218391 0.85 HRH3 (1.00) HRH3LMNA
SCHEMBL2217823 0.85 HRH3 (1.00) HRH3LMNAKDM4E

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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US claimed
EP-2125720-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 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 (1 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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885LMNA 4860/4885KDM4E 777/4885

“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.