SCHEMBL5549959

SCHEMBL5549959

CC(c1ccc(-c2ccc(-c3cccc(CO)c3)cc2)cc1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
PTGS2 P35354 2/20 0.44
ADAMTS4 O75173 1/20 0.42
CYP2D6 P10635 1/20 0.40
MGLL Q99685 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
OGA O60502 1/20 0.39

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
SCHEMBL5553101 0.85 SLC6A2 (0.48) CYP2D6CHRM2CHRM1HRH3OGA
SCHEMBL20832756 0.77 SLC6A2 (0.48) CYP2D6CHRM2CHRM1OGA
SCHEMBL22227886 0.77 SLC6A2 (0.48) CYP2D6CHRM2CHRM1OGA
SCHEMBL6450241 0.76 CYP2D6 (0.45) CYP2D6CHRM2CHRM1HRH3
SCHEMBL5553174 0.76 CYP2D6 (0.41) PTGS2CYP2D6CHRM2CHRM1ACHE
SCHEMBL6447434 0.76 CYP2D6 (0.41) CYP2D6CHRM2CHRM1ACHEHRH3
SCHEMBL5555136 0.76 DPP4 (0.53) ADAMTS4CYP2D6MGLLCHRNB4CHRNA3
SCHEMBL6445690 0.76 DPP4 (0.53) ADAMTS4CYP2D6MGLLCHRNB4CHRNA3
SCHEMBL6448616 0.75 DRD2 (0.45) ADAMTS4CYP2D6HRH3
SCHEMBL5549345 0.74 ACHE (0.49) ACHEHRH3OGA

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
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP claimed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
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 PRKCI 4493/4885PTGS2 2955/4885ADAMTS4 1297/4885

“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.