SCHEMBL264334

SCHEMBL264334

COC(=O)c1nc(C)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
S1PR4 O95977 1/20 0.45
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41

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
SCHEMBL30775057 1.00 NPSR1 (0.47) NPSR1S1PR4POLBTDP1GABRP
SCHEMBL10665321 0.89 NPSR1 (0.50) NPSR1S1PR4KDM4EALDH1A1HPGD
SCHEMBL2224719 0.87 GABRP (0.42) NPSR1POLBTDP1GABRPGABRD
SCHEMBL20773666 0.86 NPC1 (0.42) NPSR1S1PR4POLBTDP1KDM4E
SCHEMBL9588556 0.84 S1PR4 (0.47) NPSR1S1PR4TDP1KDM4EALDH1A1
SCHEMBL262422 0.83 GABRP (0.47) NPSR1POLBTDP1GABRPGABRD
SCHEMBL29625359 0.83 GABRP (0.47) NPSR1POLBTDP1GABRPGABRD
SCHEMBL3246233 0.81 NPSR1 (0.42) NPSR1POLBTDP1GABRPGABRD
SCHEMBL28545196 0.81 GABRP (0.46) NPSR1POLBTDP1GABRPGABRD
SCHEMBL28493151 0.81 NPSR1 (0.45) NPSR1POLBTDP1KDM4EALDH1A1

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 52 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
CN-115246926-A Poly 2,6-pyridine dicarboxylic acid diol ester based thermoplastic polyester elastomer and preparation method and application thereof 宁波市医疗中心李惠利医院 2022-10-28 CN 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
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
WO-2012089606-A1 AZABICYCLO [4.1.0] HEPT - 4 - YL DERIVATIVES AS HUMAN OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-07-05 WO disclosed
EP-0598753-B1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO CO (US) 1998-03-18 EP disclosed
US-5637578-A AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION MONSANTO COMPANY 1997-06-10 US disclosed
US-5610293-A TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION MONSANTO COMPANY (US) 1997-03-11 US disclosed
EP-0422456-B1 Pyridine derivatives and their use in combating unwanted plant growth BASF AG (DE) 1995-05-03 EP disclosed
EP-0598753-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-06-01 EP disclosed
US-5262387-A Pyridine derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed
US-5262384-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed
WO-1993002090-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1993-02-04 WO disclosed
EP-0524161-A1 Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY (US) 1993-01-20 EP disclosed
EP-0422456-A2 Pyridine derivatives and their use in combating unwanted plant growth BASF Aktiengesellschaft (DE) 1991-04-17 EP 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 NPSR1 9/4885S1PR4 915/4885POLB 3205/4885
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 915/4885POLB 3205/4885

“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.