SCHEMBL221706

SCHEMBL221706

Cc1c[c]c(C(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 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
SCHEMBL11282908 0.78 TSHR (0.32)
SCHEMBL1188027 0.75 TYR (0.34) TRPA1LMNA
SCHEMBL16553461 0.73 ADRB2 (0.39) LMNASLC6A2CYP1A2CYP2A6
SCHEMBL16167251 0.73 ACHE (0.31) ACHE
SCHEMBL27096448 0.73 ESR1 (0.37) ACHELMNASLC6A2HTR2BCYP1A2
SCHEMBL4820038 0.73 CYP2A6 (0.32) CYP2A6
SCHEMBL27802193 0.73
SCHEMBL27458562 0.73 ALDH1A1 (0.33) ACHETDP1
SCHEMBL8123180 0.70 NOTUM (0.34) ACHETRPA1LMNA
SCHEMBL1074262 0.70 PTGS2 (0.39) TDP1SLC6A2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028717-A1 ARSENIC-CONTAINING LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS INV NYLON CHEMICALS AMERICAS, LLC (US) 2024-02-08 WO claimed
WO-2023221952-A1 CYCLIC QUATERNARY AMMONIUM SALT COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 宜昌人福药业有限责任公司 2023-11-23 WO claimed
CN-116041212-A Preparation and application of difluoro olefin ether and oxime ether derivatives 安徽农业大学 2023-05-02 CN claimed
CN-113354646-B 8-aryloxy alkoxy substituted xanthine derivative and preparation method and application thereof 南开大学 2022-11-15 CN claimed
CN-113603690-B (E) -acrylic acid derivative containing xanthine-8-group and preparation method and application thereof 南开大学 2022-10-25 CN claimed
CN-113603690-A (E) -acrylic acid derivative containing xanthine-8-group and preparation method and application thereof 南开大学 2021-11-05 CN claimed
CN-113354646-A 8-aryloxy alkoxy substituted xanthine derivative and preparation method and application thereof 南开大学 2021-09-07 CN claimed
US-20200399203-A1 PRODRUGS OF FENCAMFAMINE PRAXIS BIORESEARCH, INC. 2020-12-24 US claimed
US-10662146-B2 Prodrugs of fencamfamine Praxis Bioresearch, LLC (US) 2020-05-26 US claimed
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 US claimed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
US-7053160-B1 Metallocene monohalogenides BASELL POLYOLEFINE GMBH (DE) 2006-05-30 US claimed
US-6649623-B1 Administering tetrahydropiperidine derivative; antidiabetic agents; hyperlipemia treatment; hypotensive agents SHIONOGI & CO., LTD. (JP) 2003-11-18 US claimed
WO-2003044029-A1 METHOD FOR THE PRODUCTION OF ORGANODIPHOSPHONITES BASF AKTIENGESELLSCHAFT (DE) 2003-05-30 WO claimed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US claimed
EP-1151993-A1 CYCLIC AMINE DERIVATIVES AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2001-11-07 EP claimed
US-6069267-A REACTING AT BETWEEN ABOUT-25 AND 10 DEGREE C., PHOSPHORUS TRICHLORIDE AND AN ARYL ALCOHOL TO PRODUCE A DIARYLPHOSPHORUS CHLORIDE AND HYDROGEN CHLORIDE FORMING AN INSOLUBLE SALT WITH A BASE AND IS REMOVED; REACT WITH A DIHYDRIC ARYL COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-30 US claimed
WO-1999006416-A1 SELECTIVE SYNTHESIS OF ORGANODIPHOSPHITE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-11 WO claimed
US-4374841-A HYPOTENSIVE, ADRENERGIC BLOCKING, AND CARDIOTONIC AGENTS; CENTRAL DEPRESSANTS S. A. LABAZ N.V. (BE) 1983-02-22 US claimed
US-3959332-A N-(2-NITRO-4-ARYLOXYSULFONYL-PHENYL)-ARYLENEDIAMINES, DYES SANDOZ LTD. (CH) 1976-05-25 US claimed

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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP ACHE 465/4885TDP1 2582/4885TRPA1 5/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 ACHE 2049/4885TDP1 858/4885TRPA1 3379/4885
US-10662146-B2 Prodrugs of fencamfamine FEN1, PNMT, SLC19A1 ACHE 4/4885TDP1 24/4885TRPA1 3760/4885
US-20200399203-A1 PRODRUGS OF FENCAMFAMINE FOLR2, FOLR1, CYP4F2 ACHE 1574/4885TDP1 1165/4885TRPA1 2822/4885

“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.