SCHEMBL6328599

SCHEMBL6328599

COC(=O)CC(C)(C)C(=O)CN1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.47
KCNH2 Q12809 2/20 0.47
HTR4 Q13639 12/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42

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
SCHEMBL6331395 0.88 CACNA1I (0.60) CACNA1IKCNH2HTR4DRD2DRD4
SCHEMBL7254884 0.86 HTR4 (0.46) CACNA1IKCNH2HTR4DRD2DRD4
SCHEMBL6328589 0.85 CACNA1I (0.46) CACNA1IKCNH2HTR4
SCHEMBL6329092 0.84 HTR4 (0.50) HTR4
SCHEMBL6334928 0.82 CACNA1I (0.49) CACNA1IKCNH2HTR4DRD2DRD4
SCHEMBL6331058 0.82 GSK3B (0.47) CACNA1IKCNH2HTR4DRD2DRD4
SCHEMBL6327458 0.82 HTR4 (0.53) HTR4
SCHEMBL6330758 0.82 HTR4 (0.45) CACNA1IKCNH2HTR4DRD2DRD4
SCHEMBL6328684 0.81 HTR4 (0.52) HTR4
SCHEMBL6331443 0.81 HTR4 (0.48) CACNA1IKCNH2HTR4DRD2DRD4

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 8 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 claimed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US claimed
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO claimed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP claimed
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
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO 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 CACNA1I 1644/4885KCNH2 1888/4885HTR4 3/4885

“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.