SCHEMBL15836693

SCHEMBL15836693

C[C@@H]1CC[C@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HSD11B1 P28845 1/20 0.34
HCRTR2 O43614 1/20 0.34
TSHR P16473 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL8806728 0.87 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL3243612 0.87 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL376575 0.87 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL8064199 0.87 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL9386815 0.87 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL27730319 0.83 CHRM2 (0.36) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL20789245 0.83 HSD17B10 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL19287265 0.82 TSHR (0.42) GPR119CHRM2CHRM1CHRM3TSHR
SCHEMBL25436769 0.81 NR1H2 (0.43) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL19898506 0.81 NR1H2 (0.43) GPR119CHRM2CHRM1CHRM3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643955-B2 2-pyridyloxy-3-nitrile-4-substituted orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-05-09 US disclosed
US-9643955-B2 2-pyridyloxy-3-nitrile-4-substituted orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-05-09 US disclosed
US-20150322041-A1 2-PYRIDYLOXY-4-NITRILE-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
US-20150322041-A1 2-PYRIDYLOXY-4-NITRILE-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
WO-2014099698-A1 2-PYRIDYLOXY-3-NITRILE-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-06-26 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 (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-20150322041-A1 2-PYRIDYLOXY-4-NITRILE-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 GPR119 63/4885CHRM2 414/4885CHRM1 379/4885

“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.