SCHEMBL5418191

SCHEMBL5418191

CN1CCN(C(=O)[CH]F)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.46
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 1/20 0.42
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 1/20 0.39
HTT P42858 1/20 0.38
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27572184 0.78 CYP1A2 (0.54) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL2192994 0.78 CYP1A2 (0.54) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL447067 0.78 CYP1A2 (0.54) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL180337 0.78 CYP1A2 (0.54) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL5424796 0.77
SCHEMBL21561685 0.76 TDP1 (0.52) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL2655926 0.76 CYP1A2 (0.52) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL23071468 0.74 POLB (0.53) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL10313304 0.74 POLB (0.53) CYP1A2TDP1POLBGAAALDH1A1
SCHEMBL18181862 0.74 POLB (0.53) CYP1A2TDP1POLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CYP1A2 3406/4885TDP1 2780/4885POLB 2141/4885

“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.