SCHEMBL583369

SCHEMBL583369

CCOC(=O)C(=CNc1cc(C)nn1CC)C(=O)OCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
NPSR1 Q6W5P4 5/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
STAT1 P42224 1/20 0.65
KDM4E B2RXH2 5/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
DHODH Q02127 4/20 0.50
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17963146 0.90 GAA (0.67) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL582277 0.85 GAA (0.72) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL3754279 0.85 GAA (0.50) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963068 0.84 GAA (0.61) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963296 0.83 GAA (0.60) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17982010 0.82 GAA (0.58) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL20418878 0.82 GAA (0.58) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963246 0.81 GAA (0.60) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963372 0.81 GAA (0.57) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963231 0.81 GAA (0.56) GAANPSR1LMNASMN1; SMN2STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP disclosed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US disclosed
US-4020072-A PSYCHOTROPIC E. R. SQUIBB & SONS, INC. (US) 1977-04-26 US disclosed
US-3983128-A CNS DEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3979399-A ATARACTIC, ANALGESIC, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-09-07 US disclosed
US-3966746-A ATARACTIC, ANALGESIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-06-29 US 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 GAA 2062/4885NPSR1 679/4885LMNA 3725/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 GAA 1401/4885NPSR1 408/4885LMNA 3067/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B GAA 815/4885NPSR1 2185/4885LMNA 4822/4885

“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.