SCHEMBL5168517

SCHEMBL5168517

CC(=O)c1cccc(-c2ccc(CN3CCC(N(C)C)C3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.62
JAK2 O60674 2/20 0.52
DRD2 P14416 3/20 0.52
DRD4 P21917 3/20 0.52
CHRM4 P08173 2/20 0.52
KMT2A Q03164 1/20 0.50
MGLL Q99685 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GRM2 Q14416 1/20 0.46
LTA4H P09960 1/20 0.45
NMT1 P30419 1/20 0.45
TNKS O95271 1/20 0.45
PARP1 P09874 1/20 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
SCHEMBL5167736 0.90 HDAC1 (0.61) HDAC1JAK2DRD2DRD4CHRM4
SCHEMBL5179140 0.88 HDAC1 (0.60) HDAC1JAK2DRD2DRD4CHRM4
SCHEMBL5180912 0.86 HDAC1 (0.62) HDAC1JAK2CHRM4KMT2AOPRM1
SCHEMBL5168112 0.86 HDAC1 (0.62) HDAC1JAK2CHRM4KMT2AOPRM1
SCHEMBL5179956 0.86 HDAC1 (0.62) HDAC1JAK2CHRM4KMT2AOPRM1
SCHEMBL5952015 0.83 HDAC1 (0.57) HDAC1JAK2DRD2DRD4CHRM4
SCHEMBL5165935 0.82 HDAC1 (0.63) HDAC1JAK2DRD2DRD4CHRM4
SCHEMBL19496612 0.81 HDAC1 (0.55) HDAC1JAK2DRD2DRD4CHRM4
SCHEMBL5166393 0.80 HDAC1 (0.54) HDAC1JAK2DRD2DRD4CHRM4
SCHEMBL11365358 0.79 AOC3 (0.60) HDAC1

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 958/4885DRD2 142/4885

“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.