SCHEMBL264366

SCHEMBL264366

COC(=O)c1nc(C)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
S1PR4 O95977 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 3/20 0.38
GRM5 P41594 2/20 0.37
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37

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
Deuterium Oxide SCHEMBL9895996 0.93 NPSR1 (0.42) NPSR1S1PR4L3MBTL1KDM4EALDH1A1
SCHEMBL2372967 0.81 NPSR1 (0.52) NPSR1S1PR4L3MBTL1KDM4EALDH1A1
SCHEMBL25359629 0.80 NPSR1 (0.47) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL25361003 0.80 NPSR1 (0.47) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10665321 0.79 NPSR1 (0.50) NPSR1S1PR4L3MBTL1KDM4EALDH1A1
SCHEMBL3947679 0.79 GRM5 (0.53) NPSR1S1PR4L3MBTL1KDM4EALDH1A1
SCHEMBL4909009 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3947135 0.78 GRM5 (0.46) NPSR1S1PR4L3MBTL1KDM4EALDH1A1
SCHEMBL16030718 0.78 NPSR1 (0.48) NPSR1S1PR4L3MBTL1KDM4EALDH1A1
SCHEMBL25198769 0.78 S1PR4 (0.49) NPSR1S1PR4L3MBTL1KDM4EALDH1A1

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 64 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
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 US 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-3189043-B1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LTD (GB) 2020-11-18 EP disclosed
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED 2020-08-27 US disclosed
EP-3676261-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Chronos Therapeutics Limited (GB) 2020-07-08 EP disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
US-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 US disclosed
US-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 US disclosed
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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 (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-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT NPSR1 203/4885S1PR4 939/4885L3MBTL1 3682/4885
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R NPSR1 11/4885S1PR4 334/4885L3MBTL1 4730/4885
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R NPSR1 11/4885S1PR4 334/4885L3MBTL1 4730/4885
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 NPSR1 9/4885S1PR4 915/4885L3MBTL1 1111/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B NPSR1 120/4885S1PR4 829/4885L3MBTL1 3947/4885
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 NPSR1 9/4885S1PR4 915/4885L3MBTL1 1111/4885

“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.