SCHEMBL16634118

SCHEMBL16634118

COC[C@H](c1ccc(OC(F)(F)F)c(F)c1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 19/20 0.48
PDE1A P54750 1/20 0.41
PDE4D Q08499 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL16633541 1.00 PDE2A (0.48) PDE2APDE1APDE4DEPHX2
SCHEMBL16633441 0.85 PDE2A (0.47) PDE2AEPHX2
SCHEMBL16633121 0.85 PDE2A (0.50) PDE2AEPHX2
SCHEMBL16633010 0.80 PDE2A (0.57) PDE2AEPHX2
SCHEMBL16633314 0.79 PDE2A (0.53) PDE2AEPHX2
SCHEMBL16633655 0.78 PDE2A (0.49) PDE2AEPHX2
SCHEMBL16564168 0.75 PDE2A (0.53) PDE2APDE1APDE4DEPHX2
SCHEMBL16563462 0.75 PDE2A (0.53) PDE2APDE1APDE4DEPHX2
SCHEMBL15021309 0.73 TRPM8 (0.56) PDE2A
SCHEMBL15021307 0.73 TRPM8 (0.56) PDE2A

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 1/4885PDE1A 15/4885PDE4D 12/4885

“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.