SCHEMBL9900552

SCHEMBL9900552

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GPR119 Q8TDV5 4/20 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
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
SCHEMBL9895211 0.78 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL29345090 0.74 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL8007592 0.72 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL9895976 0.69 CHRM2 (0.34) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL20990302 0.69 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL17842640 0.68 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL19639853 0.68 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL17848777 0.68 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL29558378 0.68 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL7900483 0.68 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3CYP1A2

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-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 (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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR NR1H2 344/4885CHRM2 778/4885CHRM1 666/4885

“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.