SCHEMBL394359

SCHEMBL394359

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL393185 0.87 MAPT (0.41) HRH3ADRB2ADRB1ADRB3DRD3
SCHEMBL392988 0.84 KDM4E (0.46) KDM4EMAPTRAB9AHPGDSMN1; SMN2
SCHEMBL390381 0.84 MAPK1 (0.41) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL395054 0.81 CA1 (0.43) ADRB2ADRB1ADRB3MAPTCES2
SCHEMBL394161 0.81 RAB9A (0.43) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL394164 0.81 KDM4E (0.43) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL395449 0.80 NPSR1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL390172 0.80 ADRB2 (0.43) ADRB2ADRB1ADRB3KDM4EMAPT
SCHEMBL393341 0.79 KDM4E (0.50) KDM4EMAPTHPGDSMN1; SMN2POLB
SCHEMBL394356 0.79 KMT2A (0.37) KDM4EMAPTHTTSMN1; SMN2POLB

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 HRH3 834/4885ADRB2 1931/4885ADRB1 2179/4885

“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.