SCHEMBL4304347

SCHEMBL4304347

C[C@H]1CC[C@@H](C=O)N(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.31
LIPE Q05469 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX1 P07099 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
SCHEMBL25323532 1.00 ALDH1A1 (0.33) ALDH1A1LMNAMAPTLIPEMEN1
SCHEMBL10280081 0.83 EPHX1 (0.36) ALDH1A1LMNAMAPTLIPEEPHX1
SCHEMBL9895236 0.83 MAPT (0.31) MAPTLIPE
SCHEMBL7489016 0.82 KMT2A (0.33) LMNAMEN1KMT2A
SCHEMBL1914601 0.82 KMT2A (0.33) LMNAMEN1KMT2A
SCHEMBL7443702 0.82 KMT2A (0.33) LMNAMEN1KMT2A
SCHEMBL8004785 0.78 NR1H2 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL15317038 0.78 NR1H2 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL26676803 0.75 LIPE (0.43) ALDH1A1LMNAMAPTLIPEMEN1
SCHEMBL17892797 0.75 HCAR2 (0.35)

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-2470525-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-07-04 EP disclosed
EP-2470523-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER Glaxo Group Limited (GB) 2012-07-04 EP disclosed
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER GLAXO GROUP LIMITED (GB) 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
WO-2009124956-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2009-10-15 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 (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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR ALDH1A1 2505/4885LMNA 3400/4885MAPT 1240/4885
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER HCRTR2, HCRTR1, HTR5A ALDH1A1 1963/4885LMNA 3887/4885MAPT 2139/4885
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS HCRTR2, HCRTR1, NPY4R ALDH1A1 1635/4885LMNA 3195/4885MAPT 534/4885

“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.