SCHEMBL1717751

SCHEMBL1717751

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL16453661 1.00 NR1H2 (0.55) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL13390672 1.00 NR1H2 (0.55) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL27158361 1.00 NR1H2 (0.55) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL8225670 1.00 NR1H2 (0.55) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL10152546 0.88 NR1H2 (0.44) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL28914039 0.86 NR1H2 (0.43) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL20281906 0.86 NR1H2 (0.43) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL12524847 0.86 NR1H2 (0.43) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL17331292 0.86 NR1H2 (0.56) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL15033787 0.86 NR1H2 (0.56) NR1H2SMN1; SMN2CHRM2CHRM1CHRM3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-3030233-B1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2019-10-09 EP disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 US disclosed
US-9695163-B2 Thiazole orexin receptor antagonists MERCK SHARP & DOHME CORP (US) 2017-07-04 US disclosed
US-20160185768-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 US disclosed
EP-2297135-B1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST MERCK SHARP & DOHME (US) 2015-06-17 EP disclosed
WO-2015018027-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
WO-2015018029-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
US-8674093-B2 Process for the preparation of an orexin receptor antagonist MERCK CANADA INC. (CA) 2014-03-18 US disclosed
US-8674093-B2 Process for the preparation of an orexin receptor antagonist MERCK CANADA INC. (CA) 2014-03-18 US disclosed
US-20110165632-A1 Process for the Preparation of an Orexin Receptor Antagonist MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110165632-A1 Process for the Preparation of an Orexin Receptor Antagonist MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110165632-A1 Process for the Preparation of an Orexin Receptor Antagonist MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO disclosed
US-20100168134-A1 PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
US-20100168134-A1 PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
WO-2009143033-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2009-11-26 WO disclosed
WO-2008147518-A1 PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-04 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 (6 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-20110165632-A1 Process for the Preparation of an Orexin Receptor Antagonist HCRTR2, HCRTR1, OXTR NR1H2 216/4885SMN1; SMN2 1332/4885CHRM2 378/4885
US-20160185768-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR NR1H2 108/4885SMN1; SMN2 2627/4885CHRM2 624/4885
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SLC6A4, SLC18A2, SLC6A2 NR1H2 3192/4885SMN1; SMN2 597/4885CHRM2 2401/4885
US-20100168134-A1 PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR NR1H2 128/4885SMN1; SMN2 2426/4885CHRM2 438/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS NR1H2 1539/4885SMN1; SMN2 4385/4885CHRM2 4880/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS NR1H2 1539/4885SMN1; SMN2 4385/4885CHRM2 4880/4885

“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.