SCHEMBL6336876

SCHEMBL6336876

Nc1[nH]c(=O)c(C(=O)NCC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.54
CCR3 P51677 10/20 0.51
KCNH2 Q12809 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR2 P41597 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL6329068 0.92 HTR4 (0.56) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329186 0.90 HTR4 (0.66) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329791 0.90 KCNH2 (0.61) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329269 0.90 DRD2 (0.58) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6331374 0.90 HTR4 (0.56) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6328760 0.89 DRD2 (0.53) HTR4CCR3KCNH2CACNA1IDRD2
SCHEMBL6329054 0.89 TP53 (0.57) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6335672 0.88 HTR4 (0.52) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6335680 0.88 HTR4 (0.54) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6336300 0.88 CCR2 (0.59) HTR4KCNH2CACNA1IDRD2DRD4

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 3/4885CCR3 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.