SCHEMBL2216906

SCHEMBL2216906

c1cc2c(CN3CCCN(C4CCC4)CC3)c[nH]c2cc1C1CNCCS1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HRH3 Q9Y5N1 9/20 0.49
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
BCHE P06276 1/20 0.37
CYP2D6 P10635 1/20 0.37
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HTR6 P50406 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL2215813 0.84 HRH3 (0.49) ALDH1A1TP53HRH3LMNAHTT
SCHEMBL2220588 0.82 ALDH1A1 (0.48) ALDH1A1TP53HRH3GLALMNA
SCHEMBL2220096 0.77 DRD4 (0.38) KDM4EBCHECYP2D6DRD2DRD4
SCHEMBL2216903 0.76 HRH3 (0.55) ALDH1A1TP53HRH3GLALMNA
SCHEMBL2218309 0.74 ALDH1A1 (0.51) ALDH1A1TP53HRH3GLALMNA
SCHEMBL2217446 0.73 ALDH1A1 (0.57) ALDH1A1TP53HRH3GLALMNA
SCHEMBL2216410 0.73 HRH3 (0.75) ALDH1A1TP53HRH3LMNAHTT
SCHEMBL2217672 0.71 HRH3 (0.79) ALDH1A1TP53HRH3LMNAHTT
SCHEMBL2218809 0.70 HRH3 (0.57) ALDH1A1TP53HRH3GLALMNA
SCHEMBL2220952 0.70 ALDH1A1 (0.55) ALDH1A1TP53HRH3GLALMNA

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 ALDH1A1 2917/4885TP53 3706/4885HRH3 1/4885

“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.