SCHEMBL2220092

SCHEMBL2220092

CN(C)C1CCN(Cc2c[nH]c3cc(N4CCSCC4)ccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.41
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
CYP2D6 P10635 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
SCN1A P35498 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
BCHE P06276 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR6 P50406 1/20 0.36
NTRK1 P04629 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL2219401 0.81 HRH3 (0.54) CYP2D6HRH3
SCHEMBL2220096 0.77 DRD4 (0.38) DRD4DRD2DRD3CYP2D6L3MBTL1
SCHEMBL28219217 0.76 LTA4H (0.49) L3MBTL1
SCHEMBL28219220 0.76 LTA4H (0.49) L3MBTL1
SCHEMBL2216903 0.76 HRH3 (0.55) DRD4DRD2DRD3CYP2D6L3MBTL1
SCHEMBL2215807 0.74 HRH3 (0.54) DRD4DRD2DRD3CYP2D6L3MBTL1
SCHEMBL2219311 0.74 HRH3 (0.64) CYP2D6L3MBTL1HRH3
SCHEMBL2218575 0.72 HRH3 (0.52) CYP2D6HRH3
SCHEMBL2220988 0.70 DRD2 (0.52) DRD4DRD2DRD3CYP2D6HRH3
SCHEMBL25881803 0.68 HTR2A (0.60) DRD4DRD2DRD3CYP2D6HTR1D

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 DRD4 1312/4885DRD2 952/4885DRD3 865/4885

“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.