SCHEMBL2218325

SCHEMBL2218325

O=C(c1ccc2c(CN3CCN(C4CCCC4)CC3)c[nH]c2c1)N1CCCCCC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.80
ALDH1A1 P00352 3/20 0.60
TP53 P04637 1/20 0.60
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2219371 0.98 HRH3 (0.84) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2217678 0.98 HRH3 (0.84) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2216181 0.97 HRH3 (0.79) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2217672 0.95 HRH3 (0.79) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2218323 0.94 HRH3 (0.75) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2216522 0.93 HRH3 (0.72) HRH3ALDH1A1TP53LMNAL3MBTL3
SCHEMBL2218432 0.91 HRH3 (0.76) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2220944 0.91 HRH3 (0.96) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2335837 0.90 HRH3 (0.75) HRH3ALDH1A1TP53LMNAHTT
SCHEMBL2218976 0.90 HRH3 (0.71) HRH3ALDH1A1TP53LMNAMEN1

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 1/4885ALDH1A1 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.