SCHEMBL5167424

SCHEMBL5167424

CN(C)C1CCN(Cc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
NAAA Q02083 1/20 0.51
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CHRM4 P08173 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MITF O75030 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTA4H P09960 1/20 0.45
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
WNK1 Q9H4A3 1/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL5191676 0.92 HDAC1 (0.50) HDAC1NAAAGRIN1GRIN2BKDM4E
SCHEMBL5167418 0.90 NPC1 (0.59) HDAC1NPC1RAB9AKDM4EMEN1
SCHEMBL5164892 0.84 HRH3 (0.55) HDAC1NPC1RAB9AKDM4EMEN1
SCHEMBL5165935 0.84 HDAC1 (0.63) HDAC1MEN1KMT2ACHRM4L3MBTL1
SCHEMBL5167686 0.82 LTA4H (0.56) HDAC1CHRM4LTA4HHRH3JAK2
SCHEMBL5167382 0.82 HDAC1 (0.48) HDAC1NPC1RAB9AKDM4EMEN1
SCHEMBL5952015 0.80 HDAC1 (0.57) HDAC1CHRM4LTA4HHRH3JAK2
SCHEMBL19496612 0.80 HDAC1 (0.55) HDAC1CHRM4LTA4HHRH3JAK2
SCHEMBL13024536 0.79 LTA4H (0.60) HDAC1CHRM4LTA4HALDH1A1
SCHEMBL1911332 0.79 LTA4H (0.60) HDAC1CHRM4LTA4HALDH1A1

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 HDAC1 1532/4885NAAA 909/4885GRIN1 213/4885

“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.