SCHEMBL2220944

SCHEMBL2220944

O=C(c1ccc2c(CN3CCN(C4CCCC4)CC3)c[nH]c2c1)N1CCOCC1

nearest known ligand 0.96

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.96
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2218541 0.98 HRH3 (1.00) HRH3ALDH1A1TP53LMNAL3MBTL3
SCHEMBL2216278 0.95 HRH3 (0.94) HRH3ALDH1A1TP53LMNAL3MBTL3
SCHEMBL2220749 0.94 HRH3 (1.00) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2222748 0.92 HRH3 (1.00) HRH3ALDH1A1TP53LMNAL3MBTL3
SCHEMBL2221034 0.92 HRH3 (0.94) HRH3ALDH1A1TP53LMNAL3MBTL3
SCHEMBL2220512 0.91 HRH3 (0.84) HRH3L3MBTL3L3MBTL1
SCHEMBL2218325 0.91 HRH3 (0.80) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2218293 0.91 HRH3 (0.93) HRH3LMNAL3MBTL3L3MBTL1
SCHEMBL2219371 0.89 HRH3 (0.84) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2217678 0.89 HRH3 (0.84) HRH3ALDH1A1TP53LMNAHTT

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 5 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
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 1/4885ALDH1A1 2917/4885TP53 3706/4885

“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.