SCHEMBL5420095

SCHEMBL5420095

CC(C)(C)OC(=O)N1CCC(=O)C1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ADORA1 P30542 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NR1H2 P55055 1/20 0.36
GHSR Q92847 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 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
SCHEMBL3626968 0.91 HSD17B10 (0.46) HSD17B10ADORA1SMN1; SMN2
SCHEMBL9699056 0.84 PDE4B (0.40) ADORA1SMN1; SMN2USP2NR1H2GHSR
SCHEMBL691494 0.83 HSD17B10 (0.41) HSD17B10ADORA1SMN1; SMN2GPR119USP2
SCHEMBL1326298 0.81 NFKB1 (0.40) HSD17B10ADORA1KDM4EMAPTDDB1
SCHEMBL16227573 0.80 HSD17B10 (0.39) HSD17B10SMN1; SMN2GPR119USP2KDM4E
SCHEMBL24918232 0.80 USP2 (0.39) HSD17B10SMN1; SMN2USP2KDM4EMAPT
SCHEMBL16224559 0.80 USP2 (0.39) HSD17B10SMN1; SMN2USP2KDM4EMAPT
SCHEMBL2395205 0.80 USP2 (0.39) HSD17B10SMN1; SMN2USP2KDM4EMAPT
SCHEMBL5198517 0.79 ATM (0.38) HSD17B10SMN1; SMN2USP2KDM4EMAPT
SCHEMBL10296209 0.78 NPC1 (0.41) HSD17B10

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 HSD17B10 1522/4885ADORA1 3950/4885SMN1; SMN2 3344/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 HSD17B10 1522/4885ADORA1 3950/4885SMN1; SMN2 3344/4885
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 HSD17B10 1677/4885ADORA1 3510/4885SMN1; SMN2 3121/4885

“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.