SCHEMBL12433111

SCHEMBL12433111

CC1(C)CCN(C(=O)OCc2ccccc2)C1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTR2C P28335 1/20 0.45
PREP P48147 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL2210145 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL2208901 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL2211932 0.83 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL27829651 0.81 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL2206501 0.81 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL2210787 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL1643460 0.78 HTR2C (0.51) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL6689345 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL17495251 0.77 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B
SCHEMBL17495250 0.77 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912662-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-21 EP disclosed
US-7982053-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-7982053-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-20090239866-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-24 US disclosed
US-20090239866-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-24 US disclosed
WO-2007016364-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-08 WO 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-20090239866-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, PEPD, DPEP1 SMN1; SMN2 2654/4885CYP2C19 4175/4885PSEN1 4221/4885

“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.