SCHEMBL5389558

SCHEMBL5389558

C[C@@H](NC1(C(=O)OC(C)(C)C)CCCCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.36
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 1/20 0.31
LTA4H P09960 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5626080 1.00 MME (0.36) MMECA12CA14MAPTLTA4H
SCHEMBL4689740 1.00 MME (0.36) MMECA12CA14MAPTLTA4H
SCHEMBL3543225 0.92 KMT2A (0.33) MMECA12CA14MEN1GAA
SCHEMBL5098960 0.92 KMT2A (0.33) MMECA12CA14MEN1GAA
SCHEMBL15461486 0.87 MAPT (0.34) CA12CA14MAPTGAAALDH1A1
SCHEMBL10794048 0.86 CA14 (0.43) CA12CA14MAPTALDH1A1L3MBTL1
SCHEMBL6294189 0.86 CA14 (0.43) CA12CA14MAPTALDH1A1L3MBTL1
SCHEMBL15461474 0.85 NPSR1 (0.32) MAPTALDH1A1L3MBTL1
SCHEMBL7280370 0.82 LMNA (0.31) GAA
SCHEMBL6633961 0.80 CTSK (0.31) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265220-B2 Amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATORIES SERVIER (FR) 2007-09-04 US disclosed
US-7049330-B2 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2006-05-23 US disclosed
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATOIRES SERVIER (FR) 2005-04-21 US disclosed
EP-1476421-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2004-11-17 EP disclosed
WO-2003070690-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2003-08-28 WO disclosed
US-20030139449-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2003-07-24 US disclosed
US-6518272-B2 HT3 receptor agonists and antagonists; treatment of anxiety, depression, cognitive deficits, and prostate cancer WYETH 2003-02-11 US disclosed
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (FORMERLY AMERICAN HOME PRODUCTS CORPORATION) (US) 2002-10-24 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-20030139449-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 MME 2822/4885CA12 4326/4885CA14 3987/4885
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 MME 2822/4885CA12 4326/4885CA14 3987/4885
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative ARGLU1, PNISR, ATIC MME 2221/4885CA12 2322/4885CA14 2949/4885

“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.