SCHEMBL1421933

SCHEMBL1421933

COC(=O)c1cc(C)ccc1-c1ncccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.64
HCRTR2 O43614 7/20 0.46
HCRTR1 O43613 6/20 0.46
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
NR4A2 P43354 2/20 0.43
HTT P42858 2/20 0.43
MAP2K1 Q02750 1/20 0.43
ALOX15 P16050 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALPL P05186 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16803311 0.86 HCRTR2 (0.48) CYP46A1HCRTR2HCRTR1PKM
SCHEMBL15058495 0.84 ABL1 (0.51) CYP46A1KDM4EPKML3MBTL1NR4A2
SCHEMBL9955328 0.84 CYP46A1 (0.63) CYP46A1HCRTR1KDM4EGLAPKM
SCHEMBL1585974 0.83 HCRTR1 (0.49) CYP46A1HCRTR2HCRTR1PKML3MBTL1
SCHEMBL15058274 0.83 HSD17B10 (0.53) CYP46A1KDM4EPKML3MBTL1TDP1
SCHEMBL607770 0.82 CSNK2A1 (0.50) HCRTR2HCRTR1KDM4ETDP1HTT
SCHEMBL16656573 0.82 HCRTR1 (0.49) CYP46A1HCRTR2HCRTR1
SCHEMBL29683512 0.82 CSNK2A1 (0.50) HCRTR2HCRTR1KDM4ETDP1HTT
SCHEMBL19241426 0.81 HCRTR1 (0.48) CYP46A1HCRTR2HCRTR1PKMMAPT
SCHEMBL1586163 0.80 SLC6A3 (0.54) KDM4EPKML3MBTL1TDP1MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
EP-3336088-B1 CRYSTAL FORM OF OREXIN RECEPTOR ANTAGONIST COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-04-21 EP disclosed
US-10912775-B2 Crystal form of orexin receptor antagonist compound, and preparation method and application thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-02-09 US disclosed
US-10874674-B2 Crystal form of orexin receptor antagonist compound, and preparation method and application thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-12-29 US disclosed
US-20200261453-A1 CRYSTAL FORM OF OREXIN RECEPTOR ANTAGONIST COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-08-20 US disclosed
US-20110165632-A1 Process for the Preparation of an Orexin Receptor Antagonist MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
EP-2297135-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST Merck Sharp & Dohme Corp. (US) 2011-03-23 EP 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-20100168134-A1 PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
EP-2152690-A1 PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2010-02-17 EP disclosed
WO-2009143033-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2009-11-26 WO 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
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 (7 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 CYP46A1 1582/4885HCRTR2 1/4885HCRTR1 2/4885
US-10912775-B2 Crystal form of orexin receptor antagonist compound, and preparation method and application thereof HCRTR2, HCRTR1, NPY5R CYP46A1 505/4885HCRTR2 1/4885HCRTR1 2/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CYP46A1 709/4885HCRTR2 1/4885HCRTR1 2/4885
US-20100168134-A1 PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CYP46A1 1304/4885HCRTR2 1/4885HCRTR1 2/4885
US-20200261453-A1 CRYSTAL FORM OF OREXIN RECEPTOR ANTAGONIST COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF HCRTR2, HCRTR1, NPY5R CYP46A1 509/4885HCRTR2 1/4885HCRTR1 2/4885
US-10874674-B2 Crystal form of orexin receptor antagonist compound, and preparation method and application thereof HCRTR2, HCRTR1, NPY5R CYP46A1 509/4885HCRTR2 1/4885HCRTR1 2/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R CYP46A1 709/4885HCRTR2 1/4885HCRTR1 2/4885

“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.