Sugi Predict

Sugi Predict / Compounds / SCHEMBL6116358

SCHEMBL6116358

SCHEMBL6116358

CCCC(C)C(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.39
▸ AKR1A1 P14550 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ FDPS P14324 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL15314112 1.00 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15314113 1.00 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL29184758 0.98 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL6502387 0.98 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4886847 0.86 CA1 (0.48) FDPSCA1ALDH1A1CHRNB2CHRNA4
SCHEMBL21548738 0.86 CA1 (0.48) FDPSCA1ALDH1A1CHRNB2CHRNA4
SCHEMBL8938931 0.84 CA1 (0.57) NFKB1FDPSCA1ALDH1A1ACE2
SCHEMBL6117421 0.82 CA1 (0.55) FDPSCA1ACE2
SCHEMBL6117872 0.82 CA1 (0.55) FDPSCA1ACE2
SCHEMBL23055054 0.82 CA1 (0.43) CA1ALDH1A1CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794580-A Polypeptide coupling medicine 肿瘤多肽有限公司 2024-03-29 — — CN claimed
CN-117794580-A Polypeptide coupling medicine 肿瘤多肽有限公司 2024-03-29 — — CN disclosed
CN-116685475-A Additives in rubber formulations 巴斯夫欧洲公司 2023-09-01 — — CN disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 — — CN disclosed
CN-114149341-B Aryloxy cyclohexyl amide AMPK agonist, and preparation method and medical application thereof 中国药科大学 2023-07-21 — — CN disclosed
CN-115335360-A Low toxicity NMP substitutes and their preparation 安格斯化学公司 2022-11-11 — — CN disclosed
CN-107849362-B Resin composition for display substrate, heat-resistant resin film using same, organic EL display substrate, and method for producing organic EL display 东丽株式会社 2020-09-15 — — CN disclosed
US-20200207915-A1 RESIN COMPOSITION, METHOD OF PRODUCING RESIN FILM, AND METHOD OF PRODUCING ELECTRONIC DEVICE TORAY INDUSTRIES, INC. (JP) 2020-07-02 — — US disclosed
CN-108431135-B Resin composition, method for producing resin film, and method for producing electronic device 东丽株式会社 2020-06-23 — — CN disclosed
CN-111051432-A Resin composition, method for producing resin film, and method for producing electronic device 东丽株式会社 2020-04-21 — — CN disclosed
US-8853456-B2 Process for the preparation of tapentadol INDOCO REMEDIES LIMITED (US) 2014-10-07 — — US disclosed
EP-2460802-B1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME NAGOYA INST TECHNOLOGY (JP) 2014-09-03 — — EP disclosed
US-8703969-B2 Trifluoromethylthiophenium derivative salt, method for producing the same, and method for producing trifluoromethyl-containing compounds using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2014-04-22 — — US disclosed
US-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-05-30 — — US disclosed
EP-2460802-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME Nagoya Institute of Technology (JP) 2012-06-06 — — EP disclosed
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 — — US disclosed
EP-2275257-A2 Lithographic printing plate precursor and method of preparing lithographic printing plate Fujifilm Corporation (JP) 2011-01-19 — — EP disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 — — CN disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 — — US disclosed
EP-0677038-B1 METHOD FOR AMIDE PREPARATION EXXON CHEMICAL PATENTS INC (US) 1998-07-08 — — 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-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 CHRM1 408/4885AKR1A1 1110/4885CHRM3 702/4885
US-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL OPRD1, OPRM1, OPRK1 CHRM1 282/4885AKR1A1 292/4885CHRM3 316/4885

“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.