SCHEMBL4869458

SCHEMBL4869458

O=C(Nc1ccc(O)cc1F)N1CCCCc2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
PDK1 Q15118 8/20 0.48
PDK2 Q15119 8/20 0.48
PDK3 Q15120 8/20 0.48
PDK4 Q16654 8/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL4871226 0.92 CHRM2 (0.61) CHRM2LMNA
SCHEMBL4867648 0.86 TP53 (0.48) PDK1PDK2PDK3PDK4CA1
SCHEMBL4868270 0.85 PDK1 (0.44) CHRM2PDK1PDK2PDK3PDK4
SCHEMBL4869687 0.84 PDK1 (0.53) PDK1PDK2PDK3PDK4CA1
SCHEMBL4869649 0.83 PDK1 (0.48) PDK1PDK2PDK3PDK4CA1
SCHEMBL4870695 0.83 MAPT (0.52) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4866075 0.81 TP53 (0.59) LMNA
SCHEMBL4871155 0.80 PDK1 (0.51) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4870081 0.80 LMNA (0.53) LMNA
SCHEMBL4863677 0.79 PDK1 (0.53) PDK1PDK2PDK3PDK4CA1

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 CHRM2 396/4885PDK1 2625/4885PDK2 1400/4885

“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.