SCHEMBL2218849

SCHEMBL2218849

c1cc2c(CN3CCN(C4CCCC4)CC3)c[nH]c2cc1C1COCC[N]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.39
BCHE P06276 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
DRD2 P14416 2/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL2218809 0.98 HRH3 (0.57) HRH3ALDH1A1TP53GLABCHE
SCHEMBL2215718 0.92 HRH3 (0.47) HRH3ALDH1A1TP53GLABCHE
SCHEMBL2217446 0.86 ALDH1A1 (0.57) HRH3ALDH1A1TP53GLABCHE
SCHEMBL2220952 0.85 ALDH1A1 (0.55) HRH3ALDH1A1TP53GLABCHE
SCHEMBL2220820 0.84 HRH3 (0.52) HRH3BCHECYP2D6DRD4DRD3
SCHEMBL2218972 0.83 HRH3 (0.49) HRH3ALDH1A1TP53BCHECYP2D6
SCHEMBL2218309 0.81 ALDH1A1 (0.51) HRH3ALDH1A1TP53GLABCHE
SCHEMBL2218134 0.79 ALDH1A1 (0.57) HRH3ALDH1A1TP53GLABCHE
SCHEMBL2216933 0.75 ALDH1A1 (0.45) HRH3ALDH1A1TP53GLABCHE
SCHEMBL2217985 0.74 HRH3 (0.53) HRH3ALDH1A1TP53BCHECYP2D6

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 1 patent. 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 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.