SCHEMBL5166393

SCHEMBL5166393

CSc1cccc(-c2ccc(CN3CCC(N(C)C)C3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
JAK2 O60674 1/20 0.47
LTA4H P09960 1/20 0.47
HRH3 Q9Y5N1 5/20 0.45
NMT1 P30419 1/20 0.44
TNKS O95271 2/20 0.44
PARP1 P09874 1/20 0.44
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
MELK Q14680 1/20 0.39

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 0.84 HDAC1 (0.63) HDAC1JAK2LTA4HHRH3CHRM4
SCHEMBL19496612 0.82 HDAC1 (0.55) HDAC1JAK2LTA4HHRH3NMT1
SCHEMBL5952015 0.82 HDAC1 (0.57) HDAC1JAK2LTA4HHRH3NMT1
SCHEMBL5170062 0.81 HRH3 (0.60) HDAC1JAK2LTA4HHRH3
SCHEMBL5168517 0.80 HDAC1 (0.62) HDAC1JAK2LTA4HHRH3NMT1
SCHEMBL5167736 0.79 HDAC1 (0.61) HDAC1JAK2LTA4HHRH3NMT1
SCHEMBL5169012 0.78 LTA4H (0.50) HDAC1JAK2LTA4HHRH3TNKS
SCHEMBL5166411 0.77 GRM2 (0.56) HDAC1JAK2LTA4HHRH3CHRM4
SCHEMBL5165601 0.77 HDAC1 (0.56) HDAC1JAK2LTA4HHRH3PARP1
SCHEMBL5164995 0.77 HDAC1 (0.53) HDAC1JAK2LTA4HHRH3TNKS

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 1532/4885JAK2 958/4885LTA4H 395/4885

“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.