SCHEMBL20774263

SCHEMBL20774263

Cc1nc(C(=O)O)c(-n2ccnn2)s1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.37
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NTRK1 P04629 1/20 0.31
RECQL P46063 1/20 0.31
LDHA P00338 1/20 0.30

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
SCHEMBL20773523 0.79 HCRTR1 (0.45) HCRTR1HCRTR2RAB9ANPC1SMN1; SMN2
SCHEMBL4217774 0.77 NOTUM (0.43) NOTUM
SCHEMBL30312565 0.74 POLB (0.50) RAB9ANPC1SMN1; SMN2HCAR2MEN1
SCHEMBL20773965 0.74 HCRTR1 (0.40) HCRTR1HCRTR2RAB9ANPC1SMN1; SMN2
SCHEMBL29871179 0.71 MAPT (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2832978 0.71 GRM5 (0.43) NOTUMHCRTR1HCRTR2MEN1KMT2A
SCHEMBL18588653 0.70 HCRTR1 (0.56) NOTUMHCRTR1HCRTR2
SCHEMBL12475754 0.69 HCRTR1 (0.55) NOTUMHCRTR1HCRTR2
SCHEMBL12475748 0.69 HCRTR1 (0.55) NOTUMHCRTR1HCRTR2
SCHEMBL28173190 0.69 KCNJ1 (0.37) NOTUMHCRTR1HCRTR2HCAR2

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 10 patents. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NOTUM 3779/4885HCRTR1 2/4885HCRTR2 1/4885
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 NOTUM 3779/4885HCRTR1 2/4885HCRTR2 1/4885

“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.