SCHEMBL5412971

SCHEMBL5412971

CCCCOC(=O)N1C[C@H](S)C[C@@H]1CCCn1cccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.43
GBA2 Q9HCG7 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
BCHE P06276 1/20 0.32
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5422520 0.86 TBXAS1 (0.43) ECE1LMNASMN1; SMN2
SCHEMBL9428575 0.78 ECE1 (0.44) ECE1GBA2LMNAPOLBSMN1; SMN2
SCHEMBL5410369 0.76 ECE1 (0.43) ECE1OPRK1HRH2HRH1
SCHEMBL5404264 0.76 ECE1 (0.35) ECE1POLBHRH2HRH1L3MBTL1
SCHEMBL7142298 0.74 ECE1 (0.41) ECE1GBA2LMNAOPRD1OPRK1
SCHEMBL5407269 0.73 ECE1 (0.52) ECE1LMNAPOLBOPRD1OPRK1
SCHEMBL5401467 0.69 ECE1 (0.43) ECE1GBA2LMNAPOLBSMN1; SMN2
SCHEMBL31629521 0.68 SMN1; SMN2 (0.54) ECE1GBA2LMNAPOLBSMN1; SMN2
SCHEMBL5406222 0.68 ECE1 (0.33) ECE1
SCHEMBL7151681 0.67 ECE1 (0.52) ECE1GBA2SMN1; SMN2OPRD1OPRK1

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 ECE1 4/4885GBA2 2577/4885LMNA 4696/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885GBA2 2577/4885LMNA 4696/4885
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 ECE1 33/4885GBA2 2111/4885LMNA 4507/4885

“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.