SCHEMBL16624964

SCHEMBL16624964

Cc1cc(Cl)cc(COC(=O)N2CCC3(CC2)CN(C(=O)c2ccc4[nH]c(=O)oc4c2)C3)c1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 18/20 0.89
ATXN2 Q99700 16/20 0.89
KCNH2 Q12809 1/20 0.60

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
SCHEMBL15540249 0.94 ENPP2 (1.00) ENPP2ATXN2KCNH2
SCHEMBL15540058 0.91 ENPP2 (1.00) ENPP2ATXN2KCNH2
SCHEMBL15541153 0.91 ENPP2 (1.00) ENPP2ATXN2KCNH2
SCHEMBL15540162 0.89 ATXN2 (1.00) ENPP2ATXN2
SCHEMBL22173639 0.85 ENPP2 (0.80) ENPP2ATXN2
SCHEMBL18230769 0.82 ATXN2 (0.69) ENPP2ATXN2
SCHEMBL15540792 0.82 ENPP2 (1.00) ENPP2ATXN2KCNH2
SCHEMBL15540804 0.80 ENPP2 (1.00) ENPP2ATXN2KCNH2
SCHEMBL15541457 0.79 ENPP2 (1.00) ENPP2ATXN2KCNH2
SCHEMBL15540925 0.79 ATXN2 (1.00) ENPP2ATXN2KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A ENPP2 548/4885ATXN2 1079/4885KCNH2 422/4885

“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.