SCHEMBL9895211

SCHEMBL9895211

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
TACR1 P25103 3/20 0.30
CTSK P43235 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
SCHEMBL9900552 0.78 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL9899722 0.76 KDM4E (0.39) NR1H2KMT2A
SCHEMBL1584169 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL21232089 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL934114 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL116328 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL3442167 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL19860426 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL12216558 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL115983 0.72 NR1H2 (0.49) NR1H2MEN1KMT2ACHRM2CHRM1

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-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

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-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER HCRTR2, HCRTR1, HTR5A NR1H2 230/4885MEN1 4080/4885KMT2A 269/4885

“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.