SCHEMBL5167686

SCHEMBL5167686

CN(C)C1CCN(Cc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.56
HDAC1 Q13547 1/20 0.54
CNR2 P34972 1/20 0.50
CHRM4 P08173 2/20 0.48
HRH3 Q9Y5N1 3/20 0.48
HRH1 P35367 2/20 0.48
HRH2 P25021 1/20 0.48
JAK2 O60674 1/20 0.45
CHRM1 P11229 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5165935 0.90 HDAC1 (0.63) LTA4HHDAC1CHRM4HRH3JAK2
SCHEMBL5167316 0.88 HDAC1 (0.48) LTA4HHDAC1CNR2CHRM4HRH3
SCHEMBL5167418 0.87 NPC1 (0.59) LTA4HHDAC1HRH3HRH1HRH2
SCHEMBL1911332 0.84 LTA4H (0.60) LTA4HHDAC1CHRM4CYP2D6
SCHEMBL13634431 0.84 LTA4H (0.60) LTA4HHDAC1CHRM4CYP2D6
SCHEMBL13024536 0.84 LTA4H (0.60) LTA4HHDAC1CHRM4CYP2D6
SCHEMBL5167424 0.82 HDAC1 (0.55) LTA4HHDAC1CHRM4HRH3JAK2
SCHEMBL5165601 0.80 HDAC1 (0.56) LTA4HHDAC1CHRM4HRH3HRH1
SCHEMBL5166411 0.80 GRM2 (0.56) LTA4HHDAC1CHRM4HRH3HRH1
SCHEMBL5164995 0.80 HDAC1 (0.53) LTA4HHDAC1CHRM4HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771438-A1 1-3 SUBSTITUTED CYCLOAMINO DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP claimed
WO-2006011042-A1 1, 3 SUBSTITUTED CYCLOAMINO DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
US-20060014733-A1 Histamine-3 agonists and antagonists PFIZER INC 2006-01-19 US claimed
EP-1771438-A1 1-3 SUBSTITUTED CYCLOAMINO DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP disclosed
WO-2006011042-A1 1, 3 SUBSTITUTED CYCLOAMINO DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060014733-A1 Histamine-3 agonists and antagonists PFIZER INC 2006-01-19 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-20060014733-A1 Histamine-3 agonists and antagonists HRH3, HRH4, HRH2 LTA4H 395/4885HDAC1 1532/4885CNR2 381/4885

“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.