SCHEMBL6336358

SCHEMBL6336358

COc1cccc(CN2CCC(CNC(=O)c3cc(Cl)c(N)[nH]c3=O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.56
DRD2 P14416 7/20 0.55
DRD4 P21917 7/20 0.55
DRD3 P35462 6/20 0.55
ACHE P22303 3/20 0.54
GSK3B P49841 3/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
JAK1 P23458 1/20 0.49

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
SCHEMBL6330942 0.89 DRD2 (0.54) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6328378 0.89 CXCR4 (0.52) HTR4DRD2DRD4DRD3
SCHEMBL6329054 0.89 TP53 (0.57) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6329269 0.88 DRD2 (0.58) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6328716 0.88 HTR4 (0.55) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6328740 0.87 HDAC3 (0.50) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6328760 0.85 DRD2 (0.53) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6331358 0.85 HTR4 (0.58) HTR4DRD2DRD4DRD3ACHE
SCHEMBL7259046 0.85 HTT (0.49) HTR4DRD2DRD4DRD3
SCHEMBL6336876 0.85 HTR4 (0.54) HTR4DRD2DRD4DRD3ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US disclosed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US disclosed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP 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-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators HRH4, HRH2, HTR4 HTR4 3/4885DRD2 262/4885DRD4 275/4885

“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.