SCHEMBL16633121

SCHEMBL16633121

CC(C)(C)N(C(=O)O)C(CC(N)=O)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.50
EPHX2 P34913 1/20 0.39
SLC7A5 Q01650 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
KCNN4 O15554 1/20 0.37

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
SCHEMBL16634118 0.85 PDE2A (0.48) PDE2AEPHX2
SCHEMBL16633541 0.85 PDE2A (0.48) PDE2AEPHX2
SCHEMBL16633441 0.84 PDE2A (0.47) PDE2AEPHX2TRPM8
SCHEMBL16633314 0.83 PDE2A (0.53) PDE2AEPHX2SLC7A5TRPM8
SCHEMBL16632995 0.82 EPHX1 (0.41) EPHX2
SCHEMBL16633010 0.79 PDE2A (0.57) PDE2AEPHX2TRPM8
SCHEMBL16633655 0.77 PDE2A (0.49) PDE2AEPHX2TRPM8
SCHEMBL16564005 0.74 PDE2A (0.49) PDE2AEPHX2TRPM8
SCHEMBL19946337 0.74 PDE2A (0.50) PDE2AEPHX2SLC7A5TRPM8
SCHEMBL6324272 0.74 CYP2C19 (0.42) TRPM8

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 PDE2A 1/4885EPHX2 1190/4885SLC7A5 2098/4885

“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.