SCHEMBL17872017

SCHEMBL17872017

COC(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccc(N)cc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HTR6 P50406 1/20 0.51
AKR1C3 P42330 8/20 0.47
EPHX1 P07099 1/20 0.40
AKR1C2 P52895 4/20 0.39
NR1H2 P55055 1/20 0.38
ICMT O60725 1/20 0.37
PDE10A Q9Y233 1/20 0.36
AKR1C4 P17516 1/20 0.36
PTGS1 P23219 1/20 0.36
ADAM17 P78536 1/20 0.36
PLA2G2A P14555 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL3006668 0.89 L3MBTL1 (0.72) L3MBTL1HTR6AKR1C3EPHX1AKR1C2
SCHEMBL3220344 0.86 L3MBTL1 (0.56) L3MBTL1HTR6AKR1C3EPHX1AKR1C2
SCHEMBL29444455 0.86 L3MBTL1 (0.56) L3MBTL1HTR6AKR1C3EPHX1AKR1C2
SCHEMBL2018732 0.83 L3MBTL1 (0.78) L3MBTL1HTR6AKR1C3EPHX1PDE10A
SCHEMBL29651147 0.83 L3MBTL1 (0.78) L3MBTL1HTR6AKR1C3EPHX1PDE10A
SCHEMBL17871942 0.82 L3MBTL1 (0.52) L3MBTL1HTR6AKR1C3AKR1C2F2
SCHEMBL26683954 0.79 L3MBTL1 (0.56) L3MBTL1HTR6AKR1C3EPHX1PDE10A
SCHEMBL16880872 0.79 L3MBTL1 (0.58) L3MBTL1HTR6AKR1C3EPHX1AKR1C2
SCHEMBL28942631 0.78 HTR6 (0.46) L3MBTL1HTR6EPHX1NR1H2
SCHEMBL27807453 0.77 HTR6 (0.46) L3MBTL1HTR6AKR1C3EPHX1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA L3MBTL1 4499/4885HTR6 4445/4885AKR1C3 1292/4885

“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.