SCHEMBL941008

SCHEMBL941008

C=CCCC(=O)N1CC(C(=O)OCC)=C(N(Cc2ccc(C(F)(F)F)cc2)C(=O)CC(=O)OC)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.33
▸ BCL2A1 Q16548 1/20 0.33
▸ TEAD1 P28347 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ PPARG P37231 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PRKAB2 O43741 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAG3 Q9UGI9 1/20 0.31
▸ PRKAG2 Q9UGJ0 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CRHBP P24387 1/20 0.31

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
SCHEMBL19251713 0.78 TLR2 (0.39) CETPKDM4EPPARGEPHX2ALDH1A1
SCHEMBL19251687 0.75 PPARG (0.38) CETPKDM4EPPARGEPHX2ALDH1A1
SCHEMBL19251699 0.73 MAPT (0.39) CETPKDM4EALDH1A1MAPTMEN1
SCHEMBL17629532 0.69 ALDH1A1 (0.37) CETPKDM4EPPARGEPHX2ALDH1A1
SCHEMBL17629533 0.67 TRPM2 (0.36) CETPKDM4EPPARGEPHX2ALDH1A1
SCHEMBL17629556 0.66 PPARG (0.35) CETPPPARGEPHX2MAPT
SCHEMBL941457 0.63 EGLN1 (0.45) TEAD1KDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL17629585 0.63 CETP (0.43) CETPKDM4EPPARGALDH1A1MAPT
SCHEMBL17629564 0.62 PPARG (0.35) CETPKDM4EPPARGEPHX2ALDH1A1
SCHEMBL17629562 0.62 CACNA1F (0.36) CETPKDM4EPPARGEPHX2ALDH1A1

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
EP-2257171-B1 TETRAHYDRO-1H-PYRROLO-FUSED PYRIDONES MERCK SHARP & DOHME (US) 2016-02-10 — — EP disclosed
US-8372863-B2 Tetrahydro-1H-pyrrolo fused pyridones MERCK SHARP & DOHME CORP. (US) 2013-02-12 — — US disclosed
US-20110009406-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES MERCK SHARP & DOHME LLC 2011-01-13 — — 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-20110009406-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES HIF1AN, EGLN2, EGLN3 CETP 4627/4885HRH3 414/4885BCL2A1 3016/4885

“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.

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