SCHEMBL5465766

SCHEMBL5465766

COc1c(N2CCC(C3(NCCC#N)CC3)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 3/20 0.36

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
SCHEMBL5799322 0.94 JAK2 (0.34) CYP3A4KCNH2
SCHEMBL5467100 0.90 KCNH2 (0.35) KCNH2
SCHEMBL5465810 0.85 KCNH2 (0.41) KCNH2
SCHEMBL5460702 0.85 JAK2 (0.38) CYP3A4KCNH2
SCHEMBL5465200 0.84 CYP3A4 (0.37) CYP3A4KCNH2
SCHEMBL5462521 0.84 KCNH2 (0.44) CYP3A4KCNH2
SCHEMBL5459342 0.84 KCNH2 (0.38) CYP3A4KCNH2
SCHEMBL5461918 0.83 KCNH2 (0.32) KCNH2
SCHEMBL5472846 0.82 KCNH2 (0.43) KCNH2
SCHEMBL5453081 0.81 KCNH2 (0.32) KCNH2

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 CYP3A4 815/4885KCNH2 2633/4885

“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.