SCHEMBL392885

SCHEMBL392885

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 5/20 0.49
SCN2A Q99250 5/20 0.49
SCN3A Q9NY46 5/20 0.49
CHRNB2 P17787 3/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA4 P43681 3/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ABCB1 P08183 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A3 Q01959 3/20 0.37
SLC6A4 P31645 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BCAT2 O15382 1/20 0.37
SLC6A9 P48067 1/20 0.36
TACR1 P25103 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
SCHEMBL393274 0.87 SCN1A (0.44) SCN1ASCN2ASCN3ACHRNB2CHRNB4
SCHEMBL393416 0.84 ADRB2 (0.44)
SCHEMBL392988 0.82 KDM4E (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL392770 0.82 L3MBTL1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL393653 0.82 ADRB2 (0.46) KMT2AALDH1A1KDM4E
SCHEMBL3101971 0.81 SCN1A (0.50) SCN1ASCN2ASCN3ACHRNB2CHRNB4
SCHEMBL390294 0.80 SCN1A (0.52) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL390381 0.78 MAPK1 (0.41) SCN1ASCN2ASCN3AKMT2ASMN1; SMN2
SCHEMBL390306 0.76 CA12 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL392972 0.76 NR4A2 (0.50) KMT2AALDH1A1LMNAKDM4E

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 5 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
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 SCN1A 3690/4885SCN2A 2151/4885SCN3A 3261/4885

“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.