SCHEMBL15567779

SCHEMBL15567779

CON(C)C(=O)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.50
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
PDE2A O00408 5/20 0.42
ACHE P22303 1/20 0.39
KCNN4 O15554 1/20 0.38
SCN3A Q9NY46 1/20 0.37
ABL1 P00519 1/20 0.37
SCN9A Q15858 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL25218906 0.89 MLYCD (0.50) MLYCDEPHX2LMNAMAPK1HTT
SCHEMBL15188273 0.86 MLYCD (0.50) MLYCDLMNASLC6A2SLC6A4
SCHEMBL15351193 0.86 MLYCD (0.50) MLYCDEPHX2LMNAMAPK1SLC6A2
SCHEMBL29797355 0.85 HTT (0.63) MLYCDLMNAMAPK1HTTRAB9A
SCHEMBL4822355 0.85 HTT (0.63) MLYCDLMNAMAPK1HTTRAB9A
SCHEMBL1091526 0.80 KCNQ3 (0.47) MLYCDLMNAMAPK1HTTRAB9A
SCHEMBL2883042 0.80 CES2 (0.52) MLYCDLMNAMAPK1HTTRAB9A
SCHEMBL16421209 0.79 MLYCD (0.52) MLYCDEPHX2LMNAMAPK1HTT
SCHEMBL16210218 0.79 EPHX2 (0.59) EPHX2LMNAMAPK1HTTRAB9A
SCHEMBL18284494 0.78 MLYCD (0.51) MLYCDEPHX2LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20160264536-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-15 US disclosed
EP-3061754-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-08-31 EP disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 EP disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
WO-2014025651-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 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 (5 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MLYCD 4350/4885EPHX2 1190/4885LMNA 3391/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 MLYCD 2833/4885EPHX2 4295/4885LMNA 710/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MLYCD 4350/4885EPHX2 1190/4885LMNA 3391/4885
US-20160264536-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MLYCD 3852/4885EPHX2 544/4885LMNA 3096/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A MLYCD 4350/4885EPHX2 1190/4885LMNA 3391/4885

“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.