SCHEMBL395261

SCHEMBL395261

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL394590 0.99 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL394383 0.97 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL392561 0.94 RECQL (0.33) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL392732 0.82 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL394841 0.81 LMNA (0.37) ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL395704 0.80 SIGMAR1 (0.40) ALDH1A1SMN1; SMN2L3MBTL1USP2TSHR
SCHEMBL392957 0.80 MEN1 (0.44) ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL393504 0.79 SIGMAR1 (0.40) ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL394238 0.77 TSHR (0.41) ALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL392739 0.75 PRKCA (0.32) ALDH1A1

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.