SCHEMBL5166477

SCHEMBL5166477

CN(C)C1CCN(Cc2ccc(-c3cccs3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.55
DRD4 P21917 13/20 0.53
HTR2A P28223 11/20 0.53
DRD2 P14416 11/20 0.52
MCHR1 Q99705 1/20 0.49
LTA4H P09960 1/20 0.49
PDE2A O00408 1/20 0.47
JAK2 O60674 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL4579575 0.82 DRD4 (0.59) CHRM4DRD4HTR2ADRD2MCHR1
SCHEMBL5165935 0.81 HDAC1 (0.63) CHRM4DRD4DRD2MCHR1LTA4H
SCHEMBL4580616 0.80 HDAC1 (0.63) HDAC1
SCHEMBL4788938 0.80 HDAC1 (0.52) CHRM4DRD4HTR2ADRD2MCHR1
SCHEMBL4578742 0.80 HDAC1 (0.63) HDAC1
SCHEMBL4578738 0.80 HDAC1 (0.63) HDAC1
SCHEMBL5188483 0.79 LSS (0.52) CHRM4LTA4HPDE2AJAK2HDAC1
SCHEMBL5191116 0.79 LSS (0.52) CHRM4LTA4HPDE2AJAK2HDAC1
SCHEMBL8231625 0.79 HDAC1 (0.49) DRD4HTR2AHDAC1
SCHEMBL4579564 0.79 HDAC1 (0.64) CHRM4DRD4HTR2ADRD2MCHR1

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 CHRM4 209/4885DRD4 330/4885HTR2A 40/4885

“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.