SCHEMBL2220096

SCHEMBL2220096

CN(C)C1CCN(Cc2c[nH]c3cc(C4CNCCS4)ccc23)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CYP2D6 P10635 2/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 3/20 0.36
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTA4H P09960 1/20 0.34
BCHE P06276 1/20 0.33
SOS1 Q07889 2/20 0.33
DDR1 Q08345 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2216906 0.77 ALDH1A1 (0.49) DRD4DRD2DRD3CYP2D6MAOA
SCHEMBL2215813 0.77 HRH3 (0.49) DRD4DRD2DRD3CYP2D6MAOA
SCHEMBL2220092 0.77 DRD4 (0.41) DRD4DRD2DRD3CYP2D6SCN1A
SCHEMBL2219401 0.73 HRH3 (0.54) CYP2D6KDM4E
SCHEMBL2219311 0.70 HRH3 (0.64) CYP2D6KDM4EL3MBTL1
SCHEMBL2220988 0.68 DRD2 (0.52) DRD4DRD2DRD3CYP2D6KDM4E
SCHEMBL2218575 0.68 HRH3 (0.52) CYP2D6KDM4E
SCHEMBL12437635 0.65 MEN1 (0.51)
SCHEMBL25881803 0.64 HTR2A (0.60) DRD4DRD2DRD3CYP2D6KDM4E
SCHEMBL2217807 0.62 DRD2 (0.56) DRD4DRD2DRD3CYP2D6KDM4E

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.