SCHEMBL428427

SCHEMBL428427

Cc1ccc2ncc(F)c(C(O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.55

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
SCHEMBL6806086 0.92 KCNH2 (0.67) KCNH2
SCHEMBL10188161 0.92 KCNH2 (0.67) KCNH2
SCHEMBL6806088 0.92 KCNH2 (0.67) KCNH2
SCHEMBL427717 0.88 KCNH2 (0.44) KCNH2
SCHEMBL426430 0.88 KCNH2 (0.44) KCNH2
SCHEMBL6143784 0.82 KCNH2 (0.55) KCNH2
SCHEMBL6143788 0.82 KCNH2 (0.55) KCNH2
SCHEMBL5185304 0.82 KCNH2 (0.56) KCNH2
SCHEMBL5185308 0.82 KCNH2 (0.56) KCNH2
SCHEMBL5185313 0.82 KCNH2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 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 (2 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 KCNH2 1203/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 KCNH2 1203/4885

“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.