SCHEMBL5549428

SCHEMBL5549428

CC(c1ccc(-c2ccc(-c3cc4ccccc4s3)cc2)cc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP2D6 P10635 1/20 0.41
VCP P55072 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
ERN1 O75460 1/20 0.39
OGA O60502 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL28246498 0.78 APP (0.67) APPCA1CA2CA9CHRM2
SCHEMBL27159530 0.74 APP (0.81) APPCA1CA2CA9CHRM2
SCHEMBL32677328 0.74 APP (0.81) APPCA1CA2CA9CHRM2
SCHEMBL5768436 0.73 APP (0.72) APPCA1CA2CA9CHRM2
SCHEMBL5553936 0.71 SLC6A2 (0.43) APPSLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL8983490 0.70 UGT2B7 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6OGA
SCHEMBL8338272 0.70 APP (0.68) APPCA1CA2CA9HSD17B1
SCHEMBL7641051 0.70 APP (0.58) APPCA1CA2CA9CHRM2
SCHEMBL23555697 0.69 APP (0.72) APPCA1CA2CA9CHRM2
SCHEMBL27430959 0.69 APP (0.67) APPCA1CA2CA9HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 400/4885CA1 3210/4885CA2 2473/4885

“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.