SCHEMBL16633233

SCHEMBL16633233

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PDE2A O00408 2/20 0.37
POLB P06746 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
SPPL2B Q8TCT7 1/20 0.36
SPPL2A Q8TCT8 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL16633394 0.85 ALDH1A1 (0.38) EPHX1ALDH1A1EPHX2SLC6A2SLC6A4
SCHEMBL16633449 0.84 ALDH1A1 (0.39) EPHX1ALDH1A1EPHX2PDE2APOLB
SCHEMBL16633285 0.82 ALDH1A1 (0.36) EPHX1ALDH1A1EPHX2PDE2ATRPV1
SCHEMBL16633661 0.82 EPHX2 (0.40) ALDH1A1EPHX2PDE2AMMP12PSEN1
SCHEMBL16633314 0.81 PDE2A (0.53) TRPM8EPHX2PDE2A
SCHEMBL16632995 0.81 EPHX1 (0.41) EPHX1ALDH1A1EPHX2SLC6A2SLC6A4
SCHEMBL16634078 0.80 EPHX1 (0.40) EPHX1ALDH1A1EPHX2SLC6A2SLC6A4
SCHEMBL16563726 0.80 TRPV1 (0.40) EPHX1ALDH1A1EPHX2PDE2ATRPV1
SCHEMBL16633980 0.78 ALDH1A1 (0.41) EPHX1ALDH1A1EPHX2PDE2APOLB
SCHEMBL16633417 0.77 ALDH1A1 (0.38) EPHX1ALDH1A1EPHX2PDE2ATRPV1

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 EPHX1 1515/4885TRPM8 3418/4885ALDH1A1 492/4885

“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.