SCHEMBL5553100

SCHEMBL5553100

c1ncc(-c2ccc(-c3ccc(C4CCC5CCCCN54)cc3)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
CCR5 P51681 1/20 0.41
KDM2B Q8NHM5 1/20 0.37
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HDAC4 P56524 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL13660535 0.82 HRH3 (0.56) HRH3CCR5CHRNB2CHRNA7CHRNA4
SCHEMBL4292349 0.82 HRH3 (0.56) HRH3CCR5CHRNB2CHRNA7CHRNA4
SCHEMBL13660570 0.81 HRH3 (0.55) HRH3ALDH1A1ATM
SCHEMBL4292359 0.81 HRH3 (0.55) HRH3ALDH1A1ATM
SCHEMBL13660571 0.77 HRH3 (0.51) HRH3ALDH1A1KDM4ECHRNA7
SCHEMBL4294203 0.77 HRH3 (0.51) HRH3ALDH1A1KDM4ECHRNA7
SCHEMBL5549987 0.77 CHRNB2 (0.56) ALDH1A1ACHEKDM4ECYP3A4RECQL
SCHEMBL13660567 0.76 HRH3 (0.53) HRH3KDM2B
SCHEMBL4292355 0.76 HRH3 (0.53) HRH3KDM2B
SCHEMBL4297685 0.75 HRH3 (0.58) HRH3

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 HRH3 1/4885CCR5 1119/4885KDM2B 2997/4885

“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.