SCHEMBL394590

SCHEMBL394590

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A9 P48067 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL395261 0.99 ADRB2 (0.39) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL394383 0.96 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL392561 0.93 RECQL (0.33) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL394841 0.82 LMNA (0.37) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL392957 0.81 MEN1 (0.44) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL392732 0.81 L3MBTL1 (0.35) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL393504 0.80 SIGMAR1 (0.40) ALDH1A1MAPTL3MBTL1
SCHEMBL395704 0.79 SIGMAR1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL394238 0.76 TSHR (0.41) ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL10099631 0.74 ALDH1A1 (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPT

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.