SCHEMBL6328290

SCHEMBL6328290

Nc1[nH]c(=O)c(C(=O)NCC2CCN(C(C(=O)O)c3ccccc3)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.44
CCR3 P51677 4/20 0.44
KCNH2 Q12809 3/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
HTR4 Q13639 4/20 0.39
TPSAB1 Q15661 2/20 0.39
ACHE P22303 1/20 0.39
CHRM1 P11229 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL7259071 0.89 DRD2 (0.40) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL6334766 0.89 DRD4 (0.44) KCNH2DRD2DRD4DRD3HTR4
SCHEMBL6327323 0.84 GRIN1 (0.43) KCNH2DRD2DRD4DRD3HTR4
SCHEMBL6329269 0.83 DRD2 (0.58) DRD2DRD4DRD3HTR4ACHE
SCHEMBL6334076 0.82 KCNH2 (0.43) KCNH2DRD2DRD4DRD3HTR4
SCHEMBL6327265 0.80 DRD2 (0.51) KCNH2DRD2DRD4DRD3HTR4
SCHEMBL7259547 0.80 GRIN1 (0.40) KCNH2DRD2DRD4DRD3HTR4
SCHEMBL6331058 0.79 GSK3B (0.47) KCNH2DRD2DRD4DRD3HTR4
SCHEMBL6329577 0.79 TP53 (0.54) DRD2DRD4DRD3HTR4
SCHEMBL6331443 0.78 HTR4 (0.48) KCNH2DRD2DRD4DRD3HTR4

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 HRH1 11/4885CCR3 417/4885KCNH2 1888/4885

“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.