SCHEMBL2219845

SCHEMBL2219845

O=C(c1cccc2c(CN3CCCCC3)c[nH]c12)N1CCN(C2CCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 1.00
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
KDR P35968 1/20 0.47
TSHR P16473 1/20 0.45
TP53BP1 Q12888 2/20 0.45
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MBTD1 Q05BQ5 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 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
SCHEMBL2216786 0.96 HRH3 (1.00) HRH3ALDH1A1TP53KDRTSHR
SCHEMBL2216419 0.91 HRH3 (1.00) HRH3ALDH1A1TP53
SCHEMBL2219077 0.84 HRH3 (0.72) HRH3ALDH1A1TP53TP53BP1L3MBTL3
SCHEMBL2220961 0.82 HRH3 (1.00) HRH3TSHR
SCHEMBL2218328 0.80 HRH3 (0.72) HRH3ALDH1A1TP53TP53BP1L3MBTL3
SCHEMBL2217796 0.78 HRH3 (0.71) HRH3ALDH1A1TP53L3MBTL3L3MBTL1
SCHEMBL4433508 0.76 HRH3 (0.80) HRH3LMNAKMT2AMEN1HTT
SCHEMBL2217909 0.75 HRH3 (0.73) HRH3ALDH1A1TP53KMT2A
SCHEMBL2218697 0.74 HRH3 (1.00) HRH3LMNAKMT2AMEN1
SCHEMBL2218976 0.73 HRH3 (0.71) HRH3ALDH1A1TP53L3MBTL3L3MBTL1

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 11 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
CN-101679249-A As histamine H 3The indoles of receptor modulators and benzothienyl compounds JANSSEN PHARMACEUTICA NV 2010-03-24 CN 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
CN-101679249-A As histamine H 3The indoles of receptor modulators and benzothienyl compounds JANSSEN PHARMACEUTICA NV 2010-03-24 CN disclosed
EP-2125720-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP 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
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.