SCHEMBL8004785

SCHEMBL8004785

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL15317038 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL26791171 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL116548 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL116141 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL12660832 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1914221 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL19557223 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1914633 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL9918099 0.86 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL2277430 0.84 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US 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-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
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 NR1H2 344/4885CHRM2 778/4885CHRM1 666/4885
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER HCRTR2, HCRTR1, HTR5A NR1H2 230/4885CHRM2 588/4885CHRM1 528/4885
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS HCRTR2, HCRTR1, NPY4R NR1H2 345/4885CHRM2 322/4885CHRM1 202/4885

“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.