SCHEMBL9895976

SCHEMBL9895976

[2H]C1([2H])C[C@H](C)CN(C(=O)OC(C)(C)C)[C@]1([2H])C=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.32
HPGD P15428 1/20 0.31
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
SCHEMBL15317038 0.78 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10RECQL
SCHEMBL8004785 0.78 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10RECQL
SCHEMBL12660832 0.75 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10SMN1; SMN2
SCHEMBL1914633 0.75 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10SMN1; SMN2
SCHEMBL1914221 0.75 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10SMN1; SMN2
SCHEMBL116141 0.75 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10SMN1; SMN2
SCHEMBL19557223 0.75 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10SMN1; SMN2
SCHEMBL116548 0.75 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10SMN1; SMN2
SCHEMBL26791171 0.75 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10SMN1; SMN2
SCHEMBL23600171 0.72 NR1H2 (0.41) CHRM2CHRM1CHRM3HSD17B10RECQL

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CHRM2 778/4885CHRM1 666/4885CHRM3 557/4885
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER HCRTR2, HCRTR1, HTR5A CHRM2 588/4885CHRM1 528/4885CHRM3 396/4885

“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.