SCHEMBL6328378

SCHEMBL6328378

Cc1cccc(CN2CCC(CNC(=O)c3cc(Cl)c(N)[nH]c3=O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.52
HTT P42858 2/20 0.52
HTR4 Q13639 3/20 0.51
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 2/20 0.51
CCR2 P41597 1/20 0.51
KCNH2 Q12809 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL7259046 0.96 HTT (0.49) CXCR4HTTHTR4DRD2DRD4
SCHEMBL6329054 0.91 TP53 (0.57) CXCR4HTTHTR4DRD2DRD4
SCHEMBL6329006 0.91 HTR4 (0.52) HTTHTR4DRD2DRD4DRD3
SCHEMBL6329791 0.91 KCNH2 (0.61) HTTHTR4DRD2DRD4DRD3
SCHEMBL6329269 0.91 DRD2 (0.58) HTR4DRD2DRD4DRD3
SCHEMBL6328740 0.89 HDAC3 (0.50) HTTHTR4DRD2DRD4DRD3
SCHEMBL6336358 0.89 HTR4 (0.56) HTR4DRD2DRD4DRD3
SCHEMBL6330942 0.88 DRD2 (0.54) HTR4DRD2DRD4DRD3KCNH2
SCHEMBL6336876 0.87 HTR4 (0.54) HTR4DRD2DRD4DRD3CCR2
SCHEMBL6329182 0.87 HTR4 (0.47) HTR4DRD2DRD4DRD3KCNH2

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 CXCR4 249/4885HTT 3534/4885HTR4 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.