SCHEMBL5549991

SCHEMBL5549991

CC(c1ccc(-c2ccc(-c3cncnc3)cc2)cc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PDE10A Q9Y233 1/20 0.40
OGA O60502 1/20 0.40
CYP2D6 P10635 1/20 0.40
LRRK2 Q5S007 1/20 0.38
CYP17A1 P05093 1/20 0.37
ACHE P22303 1/20 0.37
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AR P10275 1/20 0.36
MC4R P32245 1/20 0.36
P4HB P07237 1/20 0.36
SLC2A1 P11166 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
SCHEMBL5553097 0.86 P4HB (0.45) LTA4HOGACYP2D6CYP17A1MC4R
SCHEMBL5553979 0.86 P4HB (0.45) LTA4HOGACYP2D6CYP17A1MC4R
SCHEMBL5553095 0.86 P4HB (0.45) LTA4HOGACYP2D6CYP17A1MC4R
SCHEMBL5555099 0.84 P4HB (0.47) LTA4HOGACYP2D6MC4RP4HB
SCHEMBL10839633 0.77 CYP2D6 (0.47) LTA4HCYP2D6LRRK2KCNA5KCNH2
SCHEMBL5549999 0.75 DPP4 (0.36) CYP2D6CYP17A1P4HB
SCHEMBL23146340 0.74 LTA4H (0.49) LTA4HCYP2D6LRRK2ACHEKCNA5
SCHEMBL1927983 0.74 LTA4H (0.49) LTA4HCYP2D6LRRK2ACHECYP3A4
SCHEMBL263756 0.74 LTA4H (0.49) LTA4HOGACYP2D6LRRK2ACHE
SCHEMBL1927517 0.74 LTA4H (0.49) LTA4HCYP2D6LRRK2ACHECYP3A4

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 LTA4H 472/4885CD274 1410/4885TLR8 487/4885

“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.