SCHEMBL18870010

SCHEMBL18870010

CC(C)(C)OC(=O)NC1CCC(=O)N(CCc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SCN9A Q15858 5/20 0.50
XIAP P98170 3/20 0.50
NPY1R P25929 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 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
SCHEMBL18870009 0.83 SCN9A (0.45) SCN9ANPY1RKMT2AL3MBTL1SMN1; SMN2
SCHEMBL6159943 0.81 NPY1R (0.49) SCN9AXIAPNPY1RKMT2AL3MBTL1
SCHEMBL4817994 0.80 SCN9A (0.48) SCN9ANPY1RKMT2AL3MBTL1
SCHEMBL4816939 0.80 SCN9A (0.48) SCN9ANPY1RKMT2AL3MBTL1
SCHEMBL9977203 0.80 SRC (0.49) SCN9AKMT2AL3MBTL1
SCHEMBL24379309 0.80 SCN9A (0.48) SCN9ANPY1RKMT2AL3MBTL1
SCHEMBL6818187 0.78 GAA (0.50) ALDH1A1SCN9ANPY1RGAAMAPT
SCHEMBL29048164 0.78 SMN1; SMN2 (0.57) ALDH1A1SCN9ANPY1RGAAMAPT
SCHEMBL40642 0.78 XIAP (0.60) ALDH1A1XIAPGAA
SCHEMBL29048158 0.77 ALDH1A1 (0.45) ALDH1A1GAAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137462-A1 CATIONIC LIPID CORDIARIMIDE HYBRID COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-18 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-20170137462-A1 CATIONIC LIPID CORDIARIMIDE HYBRID COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF CCAR2, LIG3, DCLRE1A ALDH1A1 1171/4885SCN9A 4658/4885XIAP 289/4885

“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.