SCHEMBL5167316

SCHEMBL5167316

CN(C)C1CCN(Cc2ccc(-c3ccccc3Oc3ccccc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
LTA4H P09960 4/20 0.48
GRM2 Q14416 1/20 0.44
CHRM4 P08173 2/20 0.43
CNR2 P34972 2/20 0.43
JAK2 O60674 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP2D6 P10635 2/20 0.41
DRD2 P14416 2/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5167686 0.88 LTA4H (0.56) HDAC1LTA4HCHRM4CNR2JAK2
SCHEMBL5167382 0.85 HDAC1 (0.48) HDAC1LTA4HGRM2CHRM4CNR2
SCHEMBL5165935 0.83 HDAC1 (0.63) HDAC1LTA4HCHRM4JAK2CYP2D6
SCHEMBL1911332 0.80 LTA4H (0.60) HDAC1LTA4HCHRM4CYP2D6DRD2
SCHEMBL13024536 0.80 LTA4H (0.60) HDAC1LTA4HCHRM4CYP2D6DRD2
SCHEMBL13634431 0.80 LTA4H (0.60) HDAC1LTA4HCHRM4CYP2D6DRD2
SCHEMBL5169012 0.79 LTA4H (0.50) HDAC1LTA4HGRM2CHRM4CNR2
SCHEMBL5167418 0.78 NPC1 (0.59) HDAC1LTA4HALDH1A1LMNATP53
SCHEMBL5170114 0.77 HDAC1 (0.53) HDAC1LTA4HGRM2CHRM4JAK2
SCHEMBL5166411 0.76 GRM2 (0.56) HDAC1LTA4HGRM2CHRM4JAK2

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 1532/4885LTA4H 395/4885GRM2 357/4885

“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.