SCHEMBL6329113

SCHEMBL6329113

Nc1[nH]c(=O)c(C(=O)NCC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.65
CACNA1I Q9P0X4 1/20 0.65
CCR2 P41597 2/20 0.53
ALDH1A1 P00352 1/20 0.49
HTR4 Q13639 3/20 0.49
DRD4 P21917 4/20 0.47
SIGMAR1 Q99720 2/20 0.47
CHRM4 P08173 2/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 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
SCHEMBL6336298 0.91 KCNH2 (0.52) KCNH2CACNA1ICCR2HTR4DRD4
SCHEMBL6336300 0.91 CCR2 (0.59) KCNH2CACNA1ICCR2HTR4DRD4
SCHEMBL6329054 0.89 TP53 (0.57) KCNH2CACNA1IHTR4DRD4DRD2
SCHEMBL6329269 0.88 DRD2 (0.58) HTR4DRD4DRD2DRD3HDAC3
SCHEMBL7257655 0.87 CCR2 (0.49) KCNH2CACNA1ICCR2HTR4DRD4
SCHEMBL6328378 0.87 CXCR4 (0.52) KCNH2CACNA1ICCR2HTR4DRD4
SCHEMBL6328740 0.87 HDAC3 (0.50) KCNH2CACNA1IHTR4DRD4DRD2
SCHEMBL6329186 0.85 HTR4 (0.66) KCNH2CACNA1ICCR2HTR4DRD4
SCHEMBL6336876 0.85 HTR4 (0.54) KCNH2CACNA1ICCR2HTR4DRD4
SCHEMBL6329182 0.85 HTR4 (0.47) KCNH2CACNA1IHTR4DRD4CHRM4

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 KCNH2 1888/4885CACNA1I 1644/4885CCR2 427/4885

“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.