SCHEMBL16633661

SCHEMBL16633661

CC(C)(C)N(C(=O)O)C(C(=O)C1CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
CHRM4 P08173 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
SPPL2B Q8TCT7 1/20 0.38
SPPL2A Q8TCT8 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
PDE2A O00408 3/20 0.36
CCR5 P51681 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE5A O76074 1/20 0.36
MMP12 P39900 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
SCHEMBL16633449 0.82 ALDH1A1 (0.39) EPHX2PPARGPPARDPPARAPDE2A
SCHEMBL16633233 0.82 EPHX1 (0.43) EPHX2PSEN1PSEN2SPPL2BSPPL2A
SCHEMBL16633394 0.81 ALDH1A1 (0.38) EPHX2PPARGPPARDPPARAPDE2A
SCHEMBL16633285 0.78 ALDH1A1 (0.36) EPHX2PPARGPPARDPPARAPDE2A
SCHEMBL16563726 0.76 TRPV1 (0.40) EPHX2PSEN1PSEN2SPPL2BSPPL2A
SCHEMBL16633980 0.74 ALDH1A1 (0.41) EPHX2PPARAPDE2AALDH1A1
SCHEMBL16634078 0.73 EPHX1 (0.40) EPHX2PSEN1PSEN2SPPL2BSPPL2A
SCHEMBL16633417 0.73 ALDH1A1 (0.38) EPHX2PPARGPPARDPPARAPDE2A
SCHEMBL16633172 0.73 ALDH1A1 (0.38) EPHX2PDE2AALDH1A1
SCHEMBL16633204 0.72 MMP2 (0.40) PSEN1PSEN2SPPL2BSPPL2AAPH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A EPHX2 1190/4885CHRM4 1068/4885FFAR4 3931/4885

“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.