SCHEMBL5198639

SCHEMBL5198639

COC(=O)C(C)(C)Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.45
▸ MAOB P27338 1/20 0.39
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL20032520 0.79 CNR2 (0.42) —
SCHEMBL11509018 0.77 PTPRB (0.47) —
SCHEMBL21423155 0.77 NOTUM (0.36) RIPK1
SCHEMBL11648125 0.74 PTGS1 (0.44) —
SCHEMBL2305263 0.73 CNR2 (0.40) RIPK1
SCHEMBL11646444 0.73 PTPRB (0.44) —
SCHEMBL293540 0.73 MMP8 (0.51) RIPK1
SCHEMBL2301928 0.72 CNR2 (0.40) RIPK1
SCHEMBL1249256 0.72 CYP3A4 (0.33) —
SCHEMBL15059305 0.71 EPHX2 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 — — US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 — — US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 — — US disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 — — EP 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-20070197594-A1 Cyclic amine derivative or salt thereof GRIN1, PARK7, GRIN3A RIPK1 1101/4885MAOB 316/4885CES2 4541/4885

“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.

Send feedback