SCHEMBL6335672

SCHEMBL6335672

N#Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)c(N)[nH]c3=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.52
KCNH2 Q12809 2/20 0.46
CACNA1I Q9P0X4 2/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 2/20 0.45
CHRM4 P08173 1/20 0.44
CCR2 P41597 1/20 0.44
ACHE P22303 1/20 0.44
PRKAA2 P54646 1/20 0.43
F10 P00742 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 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
SCHEMBL7254822 0.96 HTR4 (0.49) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329182 0.91 HTR4 (0.47) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329068 0.90 HTR4 (0.56) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329791 0.88 KCNH2 (0.61) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329186 0.88 HTR4 (0.66) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6336876 0.88 HTR4 (0.54) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329269 0.88 DRD2 (0.58) HTR4DRD2DRD4DRD3ACHE
SCHEMBL6335391 0.87 HTR4 (0.47) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6335680 0.85 HTR4 (0.54) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6331374 0.85 HTR4 (0.56) 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 3/4885KCNH2 1888/4885CACNA1I 1644/4885

“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.