SCHEMBL5409336

SCHEMBL5409336

CC(C)(C)OC(=O)N1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1CN

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.40
HTRA1 Q92743 1/20 0.39
TACR1 P25103 3/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
RORC P51449 1/20 0.36
ABCB1 P08183 1/20 0.36
HSD11B1 P28845 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HCRTR2 O43614 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
SCHEMBL5404919 0.90 SRC (0.46) SRCTACR1NR1H2NR1H3RORC
SCHEMBL8789793 0.90 SRC (0.46) SRCTACR1NR1H2NR1H3RORC
SCHEMBL8214261 0.88 SRC (0.39) SRCTACR1NR1H2NR1H3RORC
SCHEMBL8214205 0.88 SRC (0.39) SRCTACR1NR1H2NR1H3RORC
SCHEMBL5406636 0.85 HCRTR2 (0.41) SRCNR1H2NR1H3HSD11B1JAK2
SCHEMBL5409777 0.84 BDKRB2 (0.41)
SCHEMBL8201900 0.83 GPR119 (0.39) HTRA1TACR1RORCABCB1HSD11B1
SCHEMBL8390205 0.83 GPR119 (0.39) HTRA1TACR1RORCABCB1HSD11B1
SCHEMBL8211858 0.83 GPR119 (0.39) HTRA1TACR1RORCABCB1HSD11B1
SCHEMBL9034741 0.83 GPR119 (0.39) HTRA1TACR1RORCABCB1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO 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 (3 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 SRC 4111/4885HTRA1 374/4885TACR1 391/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 SRC 4111/4885HTRA1 374/4885TACR1 391/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 SRC 4028/4885HTRA1 320/4885TACR1 343/4885

“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.