SCHEMBL4297388

SCHEMBL4297388

COc1cc(C(=O)CC(=O)C(F)(F)F)cc2c1OCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRB2 P07550 6/20 0.38
ADRB1 P08588 5/20 0.38
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4D Q08499 1/20 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
SCHEMBL4295975 0.85 NR3C2 (0.43) MAPTALDH1A1ADRB2ADRB1GAA
SCHEMBL4287760 0.84 ALDH1A1 (0.41) MAPTALDH1A1KDM4EADRB2ADRB1
SCHEMBL4287097 0.84 ALDH1A1 (0.43) MAPTALDH1A1KDM4EADRB2ADRB1
SCHEMBL4296049 0.83 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1ADRB2ADRB1
SCHEMBL4297177 0.80 MAPT (0.46) LMNAPDE3BPDE3AMAPTALDH1A1
SCHEMBL4299788 0.77 NR3C2 (0.42) MAPTALDH1A1POLBADRB2ADRB1
SCHEMBL4294026 0.75 ALDH1A1 (0.67) MAPTALDH1A1POLBKDM4ERXFP1
SCHEMBL15601782 0.74 KMT2A (0.46) LMNAMAPTALDH1A1L3MBTL1
SCHEMBL21489857 0.73 SMYD3 (0.62) PDE3BPDE3AMAPTALDH1A1POLB
SCHEMBL19710449 0.73 SMYD3 (0.62) PDE3BPDE3AMAPTALDH1A1POLB

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R LMNA 2152/4885PDE3B 486/4885PDE3A 464/4885

“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.