SCHEMBL5208545

SCHEMBL5208545

O=C(CC(=O)N1CCOCC1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
KMT2A Q03164 3/20 0.60
TRPV4 Q9HBA0 1/20 0.57
AKT1 P31749 1/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.56
GAA P10253 3/20 0.55
MEN1 O00255 1/20 0.55
XBP1 P17861 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
THRB P10828 1/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX2 P34913 2/20 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
SCHEMBL5202299 0.89 RAB9A (0.67) LMNAKMT2AMAPTPOLBGAA
SCHEMBL5205367 0.85 LMNA (0.66) LMNAKMT2AMAPTPOLBGAA
SCHEMBL19745233 0.85 RAB9A (0.64) LMNAKMT2AMAPTPOLBGAA
SCHEMBL5239760 0.81 DPP4 (0.56) LMNAKMT2AMAPTPOLBGAA
SCHEMBL5142677 0.80 EPHX2 (0.72) LMNAKMT2AMAPTPOLBMEN1
SCHEMBL31236338 0.80 MAPT (0.77) KMT2AMAPTGAAMEN1XBP1
SCHEMBL5142590 0.80 MAPT (0.77) KMT2AMAPTGAAMEN1XBP1
SCHEMBL20827274 0.79 RAB9A (0.78) LMNAKMT2ATRPV4MAPTPOLB
SCHEMBL18657815 0.78 EPHX2 (0.80) LMNAKMT2AMAPTPOLBMEN1
SCHEMBL965744 0.76 LMNA (0.55) LMNAKMT2AAKT1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 LMNA 2783/4885KMT2A 2664/4885TRPV4 2198/4885

“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.