SCHEMBL5473249

SCHEMBL5473249

N#CCC(N)C1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
EEF2K O00418 2/20 0.34
EEF2 P13639 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL5467131 0.88 KCNH2 (0.35) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4524732 0.86 KCNH2 (0.48) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4524736 0.86 KCNH2 (0.48) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4511569 0.85 KCNH2 (0.47) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4511574 0.85 KCNH2 (0.47) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6504139 0.85 KCNH2 (0.38) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5472853 0.85 EEF2K (0.42) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5460699 0.83 TOP1 (0.43) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4527013 0.82 KCNH2 (0.39) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4527017 0.82 KCNH2 (0.39) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9

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-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US claimed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL KCNH2 2633/4885CYP1A2 773/4885CYP3A4 815/4885

“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.