SCHEMBL5167560

SCHEMBL5167560

COc1ccc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
MELK Q14680 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
EP300 Q09472 1/20 0.46
HIF1A Q16665 1/20 0.46
LTA4H P09960 1/20 0.46
ABCB1 P08183 2/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSD P07339 1/20 0.44
GRM2 Q14416 1/20 0.44
JAK2 O60674 1/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCC1 P33527 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 0.80 HDAC1 (0.63) HDAC1HRH3LTA4HMEN1KMT2A
SCHEMBL5168509 0.80 HDAC1 (0.46) HDAC1MELKHRH3LTA4HGRM2
SCHEMBL5165601 0.79 HDAC1 (0.56) HDAC1MELKHRH3LTA4HACHE
SCHEMBL5166411 0.79 GRM2 (0.56) HDAC1HRH3LTA4HACHEBACE1
SCHEMBL5164995 0.79 HDAC1 (0.53) HDAC1HRH3LTA4HGRM2JAK2
SCHEMBL5164892 0.78 HRH3 (0.55) HDAC1HRH3LTA4HKDM4EMEN1
SCHEMBL5188483 0.78 LSS (0.52) HDAC1HRH3LTA4HMEN1ALDH1A1
SCHEMBL5191116 0.78 LSS (0.52) HDAC1HRH3LTA4HMEN1ALDH1A1
SCHEMBL5952730 0.78 HDAC1 (0.50) HDAC1MELKHRH3LTA4HGRM2
SCHEMBL5165417 0.77 LTA4H (0.55) HDAC1HRH3LTA4HKDM4EALDH1A1

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 HDAC1 1532/4885MELK 1995/4885HRH3 1/4885

“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.