SCHEMBL393653

SCHEMBL393653

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
CDC25B P30305 2/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
CACNA1B Q00975 2/20 0.42
APBA1 Q02410 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
DRD3 P35462 1/20 0.39

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
SCHEMBL394313 0.87 ADRB2 (0.42) ADRB2ADRB1ADRB3CDC25BALDH1A1
SCHEMBL394164 0.83 KDM4E (0.43) ALDH1A1KDM4EPOLBKMT2AHPGD
SCHEMBL393416 0.83 ADRB2 (0.44) ADRB2ADRB1ADRB3POLBMAPT
SCHEMBL392885 0.82 SCN1A (0.49) ALDH1A1KDM4EKMT2A
SCHEMBL392770 0.81 L3MBTL1 (0.38) GAAL3MBTL1TDP1
SCHEMBL392972 0.80 NR4A2 (0.50) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL390294 0.79 SCN1A (0.52) ADRB2ALDH1A1KDM4EPOLBKMT2A
SCHEMBL20127262 0.79 CDC25B (0.61) ADRB2ADRB1ADRB3CDC25BALDH1A1
SCHEMBL394359 0.79 HRH3 (0.43) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL390306 0.78 CA12 (0.36) ALDH1A1KMT2AHPGDL3MBTL1

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
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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 (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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 ADRB2 1931/4885ADRB1 2179/4885ADRB3 2301/4885

“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.