SCHEMBL3388560

SCHEMBL3388560

Cc1cnn(-c2ccc(C)nc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 5/20 0.45
▸ HCRTR1 O43613 4/20 0.45
▸ CYP46A1 Q9Y6A2 2/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ ALKBH2 Q6NS38 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL30775050 1.00 HCRTR2 (0.45) HCRTR2HCRTR1CYP46A1TDO2KDM4E
SCHEMBL20774394 0.77 HCRTR1 (0.44) HCRTR2HCRTR1KDM4EMEN1ABCC4
SCHEMBL3390423 0.76 CYP1A2 (0.43) HCRTR2HCRTR1KDM4EMAPTL3MBTL1
SCHEMBL31175312 0.76 CYP1A2 (0.43) HCRTR2HCRTR1KDM4EMAPTL3MBTL1
SCHEMBL262384 0.76 HCRTR2 (0.45) HCRTR2HCRTR1KDM4EMAPTMEN1
SCHEMBL31175345 0.76 HCRTR2 (0.45) HCRTR2HCRTR1KDM4EMAPTMEN1
SCHEMBL2497920 0.75 RAB9A (0.49) HCRTR2HCRTR1CYP46A1TDO2KDM4E
SCHEMBL261755 0.74 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL29912154 0.74 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL609150 0.74 HCRTR2 (0.44) HCRTR2HCRTR1KDM4EMEN1PKM

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 45 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-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
CN-111315734-A 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 2020-06-19 — — CN disclosed
WO-2019043407-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2019-03-07 — — WO disclosed
WO-2019043407-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2019-03-07 — — WO disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 — — US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 — — US disclosed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 — — EP disclosed
WO-2014159591-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-02 — — WO disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 — — US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 — — US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 — — US disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 — — WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 — — WO 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 (5 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-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885HCRTR1 2/4885CYP46A1 709/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B HCRTR2 1425/4885HCRTR1 2016/4885CYP46A1 1830/4885
US-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885HCRTR1 2/4885CYP46A1 1044/4885
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 HCRTR2 1/4885HCRTR1 2/4885CYP46A1 709/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885HCRTR1 2/4885CYP46A1 1856/4885

“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.

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