SCHEMBL439945

SCHEMBL439945

N#CC1CCC2(CC1)OCCO2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL22533928 0.86 JAK2 (0.30)
SCHEMBL3693272 0.76
SCHEMBL21289830 0.76 ALDH1A1 (0.31)
SCHEMBL12348958 0.75
SCHEMBL3512538 0.73
SCHEMBL1551327 0.73
SCHEMBL7475971 0.71 CTSS (0.32) CTSSCTSK
SCHEMBL628804 0.71 CTSS (0.32) CTSSCTSK
SCHEMBL8990300 0.70 HAO1 (0.33)
SCHEMBL13674327 0.69 GPR119 (0.33) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518015-A Preparation method of tert-butyl-8-oxylidene-2-azaspiro [4.5] decane-2-formic acid ester 上海合全药物研发有限公司 2020-08-11 CN claimed
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
EP-4683912-A1 SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS PHARMACEUTICALS Neurasic Therapeutics Inc. (CA) 2026-01-28 EP disclosed
WO-2025230799-A2 CYCLOALKYL- AND PIPERIDINYL-CONTAINING DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONE AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2025-11-06 WO disclosed
EP-4622968-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2025-10-01 EP disclosed
EP-4608810-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS Septerna, Inc. (US) 2025-09-03 EP disclosed
WO-2025137500-A1 KINASE INHIBITION AND DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-06-26 WO disclosed
CN-115298180-B Compounds for treating or inhibiting recurrence of acute myeloid leukemia 日本理化学研究所 2025-06-10 CN disclosed
EP-4541791-A1 DIHYDROOXADIAZINONE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2025-04-23 EP disclosed
WO-2025035205-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVE AND A CYCLOOXYGENASE (COX) INHIBITOR, AND THEIR USE FOR THE TREATMENT OF PAIN NEURASIC THERAPEUTICS INC. (CA) 2025-02-20 WO disclosed
WO-2006131713-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 US disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 US disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 US disclosed
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-12-07 US disclosed
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 2005-11-24 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (4 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 CTSS 1038/4885CTSK 2048/4885
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 CTSS 899/4885CTSK 456/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD CTSS 3785/4885CTSK 2761/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 CTSS 1351/4885CTSK 2306/4885

“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.