SCHEMBL5553137

SCHEMBL5553137

CC(c1ccc(-c2ccc(-c3csc4ccccc34)cc2)cc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
NEK1 Q96PY6 1/20 0.42
ERN1 O75460 3/20 0.41
ALOX5 P09917 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 4/20 0.36
ACHE P22303 4/20 0.36
MAPT P10636 1/20 0.36
HDAC2 Q92769 1/20 0.36
PBK Q96KB5 1/20 0.36
PRKDC P78527 1/20 0.36
SLC6A2 P23975 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
SCHEMBL23555986 0.80 ERN1 (0.54) ERN1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5766614 0.77 ERN1 (0.51) APPERN1CHRM2CHRM4CHRM5
SCHEMBL5553936 0.75 SLC6A2 (0.43) APPNEK1ERN1CHRM2CHRM4
SCHEMBL24368649 0.74 ERN1 (0.47) APPERN1CHRM2CHRM4CHRM5
SCHEMBL14178321 0.74 ERN1 (0.47) APPERN1CHRM2CHRM4CHRM5
SCHEMBL7384280 0.74 MAOB (0.52) ERN1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5848721 0.73 CYP2A6 (0.52) APPERN1CHRM2CHRM4CHRM5
SCHEMBL31092063 0.73 CYP2A6 (0.52) APPERN1CHRM2CHRM4CHRM5
SCHEMBL24368388 0.73 ERN1 (0.48) APPERN1CHRM2CHRM4CHRM5
SCHEMBL7504214 0.73 ERN1 (0.55) ERN1CYP2A6MAPTHDAC2PRKDC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP disclosed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO disclosed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 APP 400/4885NEK1 2222/4885ERN1 4783/4885

“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.