SCHEMBL2214481

SCHEMBL2214481

c1ccc(C2CC[N]C(c3ccc4c(CN5CCC(N6CCCCC6)CC5)c[nH]c4c3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
BCHE P06276 1/20 0.38
TRPV6 Q9H1D0 1/20 0.36

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
SCHEMBL2215718 0.81 HRH3 (0.47) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2216933 0.81 ALDH1A1 (0.45) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2220952 0.77 ALDH1A1 (0.55) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2217446 0.76 ALDH1A1 (0.57) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2218471 0.75 HRH3 (0.63) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2218849 0.73 HRH3 (0.54) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2218809 0.73 HRH3 (0.57) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2218309 0.73 ALDH1A1 (0.51) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL2216522 0.69 HRH3 (0.72) ALDH1A1TP53LMNAL3MBTL1HRH3
SCHEMBL2218134 0.68 ALDH1A1 (0.57) DRD2DRD4DRD3ALDH1A1TP53

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 DRD2 952/4885DRD4 1312/4885DRD3 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.