SCHEMBL5898756

SCHEMBL5898756

CC(C)C(C(=O)O)N1OCCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL5898754 1.00 RAB9A (0.34) RAB9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL7100838 0.83 MEN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7100840 0.83 MEN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1698508 0.76 PIK3CD (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1289923 0.73 RAB9A (0.39) RAB9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL3725271 0.70 LMNA (0.49) RAB9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL628286 0.70 LMNA (0.49) RAB9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL15106072 0.69 LMNA (0.44) RAB9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8331968 0.69 LMNA (0.44) RAB9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL15623779 0.69 RAB9A (0.41) RAB9ACHRM2CHRM4CHRM5CHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069091-A9 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2006-03-30 US disclosed
US-20050124612-A1 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2005-06-09 US disclosed
US-6861416-B2 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. (CA) 2005-03-01 US disclosed
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for CHIROLOGIX PHARMACEUTICALS, INC (CA) 2004-02-05 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 (3 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-20060069091-A9 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE RAB9A 4379/4885CHRM2 4546/4885CHRM4 3553/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE RAB9A 4379/4885CHRM2 4546/4885CHRM4 3553/4885
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for SQLE, DHPS, COASY RAB9A 4250/4885CHRM2 4550/4885CHRM4 3696/4885

“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.