SCHEMBL5164892

SCHEMBL5164892

CN(C)C1CCN(Cc2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
S1PR5 Q9H228 3/20 0.52
HDAC1 Q13547 1/20 0.52
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.45
CHRM4 P08173 2/20 0.44
S1PR1 P21453 2/20 0.43
SCN8A Q9UQD0 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAP4K4 O95819 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL5167382 0.85 HDAC1 (0.48) S1PR5HDAC1KDM4EMITFL3MBTL1
SCHEMBL5167418 0.85 NPC1 (0.59) HRH3S1PR5HDAC1KDM4EL3MBTL1
SCHEMBL5167424 0.84 HDAC1 (0.55) HRH3HDAC1KDM4EMITFL3MBTL1
SCHEMBL5165935 0.81 HDAC1 (0.63) HRH3HDAC1L3MBTL1LTA4HCHRM4
SCHEMBL13634431 0.78 LTA4H (0.60) HDAC1LTA4HCHRM4ALDH1A1
SCHEMBL13024536 0.78 LTA4H (0.60) HDAC1LTA4HCHRM4ALDH1A1
SCHEMBL1911332 0.78 LTA4H (0.60) HDAC1LTA4HCHRM4ALDH1A1
SCHEMBL5167560 0.78 HDAC1 (0.51) HRH3HDAC1KDM4EL3MBTL1LTA4H
SCHEMBL5191676 0.78 HDAC1 (0.50) HDAC1KDM4ECHRM4SCN8AMEN1
SCHEMBL5166411 0.77 GRM2 (0.56) HRH3HDAC1LTA4HCHRM4MAP4K4

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
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 HRH3 1/4885S1PR5 939/4885HDAC1 1532/4885

“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.