SCHEMBL522945

SCHEMBL522945

COC(=O)[C@](O)(c1ccccc1)C1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
NFE2L2 Q16236 1/20 0.70
ALDH1A1 P00352 2/20 0.64
CHRM3 P20309 7/20 0.63
CHRM2 P08172 4/20 0.63
CHRM1 P11229 3/20 0.61
KCNH2 Q12809 3/20 0.61
CHRM4 P08173 2/20 0.61
CHRM5 P08912 2/20 0.61
HTR2B P41595 2/20 0.61
CYP1A2 P05177 2/20 0.61
HRH1 P35367 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
SLC6A3 Q01959 2/20 0.59
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL1234889 1.00 KEAP1 (0.70) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL2062807 1.00 KEAP1 (0.70) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL4741114 0.98 KEAP1 (0.68) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL27483674 0.98 KEAP1 (0.68) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL1610849 0.98 KEAP1 (0.68) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL10842570 0.95 KEAP1 (0.62) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL5667254 0.84 ALDH1A1 (0.70) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL3913293 0.84 ALDH1A1 (0.70) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL403319 0.84 KEAP1 (0.66) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL290176 0.83 CHRM2 (0.70) KEAP1NFE2L2ALDH1A1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-216136708-U High-vacuum distillation device for alpha-cyclopentyl methyl mandelate 天津佶品佳化工科技有限公司 2022-03-29 CN claimed
CN-111592491-B Preparation method of levo-hydrochloric acid demethyl phencynonate 北京兰晟医药科技有限公司 2021-08-17 CN claimed
CN-111592491-A Preparation method of levo-hydrochloric acid demethyl phencynonate 北京中元恒康生物科技有限公司 2020-08-28 CN claimed
CN-102190619-B Novel synthesis method for levorgyration demethyl phencynonate INST PHARM & TOXICOLOGY AMMS 2013-07-31 CN claimed
CN-103159659-A Preparation method of muscarinic receptor antagonist glycopyrronium bromide UNIV SHENYANG PHARMACEUTICAL 2013-06-19 CN claimed
CN-102718654-A Preparation method of a-cyclopentyl methyl mandelate BEIJING HEZHONGMING MEDICAL TECHNOLOGY CO LTD 2012-10-10 CN claimed
CN-102190619-A Novel synthesis method for levorgyration demethyl phencynonate INST PHARM & TOXICOLOGY AMMS 2011-09-21 CN claimed
US-20250375373-A1 READY-TO-USE INJECTABLE PHARMACEUTICAL COMPOSITIONS COMPRISING NEOSTIGMINE AND GLYCOPYRROLATE AZURITY PHARMACEUTICALS, INC. (US) 2025-12-11 US disclosed
US-12383491-B2 Ready-to-use injectable pharmaceutical compositions comprising neostigmine and glycopyrrolate AZURITY PHARMACEUTICALS, INC. (US) 2025-08-12 US disclosed
US-12151020-B2 Ready-to-use injectable pharmaceutical compositions comprising neostigmine and glycopyrrolate SLAYBACK PHARMA LLC (US) 2024-11-26 US disclosed
US-20240189222-A1 READY-TO-USE INJECTABLE PHARMACEUTICAL COMPOSITIONS COMPRISING NEOSTIGMINE AND GLYCOPYRROLATE SLAYBACK PHARMA LLC (US) 2024-06-13 US disclosed
US-11938217-B2 Ready-to-use injectable pharmaceutical compositions comprising neostigmine and glycopyrrolate SLAYBACK PHARMA LLC (US) 2024-03-26 US disclosed
CN-113234003-B Glycopyrronium bromide and preparation method thereof 广东嘉博制药有限公司 2024-02-02 CN disclosed
CN-101209993-A Medical use for levorotatory phencynonate as nerve protecting agent POISON MED INST PLA MED ACAD (CN) 2008-07-02 CN disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 WO disclosed
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 WO disclosed
CN-1781909-A Process for preparing phencynonate optical isomer INST OF POISONOUS MEDICINE ACA (CN) 2006-06-07 CN 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 (6 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-12151020-B2 Ready-to-use injectable pharmaceutical compositions comprising neostigmine and glycopyrrolate CHRNA5, CHRNB4, CHRNB1 KEAP1 4144/4885NFE2L2 4798/4885ALDH1A1 4812/4885
US-20240189222-A1 READY-TO-USE INJECTABLE PHARMACEUTICAL COMPOSITIONS COMPRISING NEOSTIGMINE AND GLYCOPYRROLATE CHRNA5, CHRNB4, CHRNB1 KEAP1 4144/4885NFE2L2 4798/4885ALDH1A1 4812/4885
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives CHRM2, ADRB1, ADRB2 KEAP1 1890/4885NFE2L2 2183/4885ALDH1A1 696/4885
US-12383491-B2 Ready-to-use injectable pharmaceutical compositions comprising neostigmine and glycopyrrolate CHRNA5, CHRNB4, CHRNB1 KEAP1 4144/4885NFE2L2 4798/4885ALDH1A1 4812/4885
US-20250375373-A1 READY-TO-USE INJECTABLE PHARMACEUTICAL COMPOSITIONS COMPRISING NEOSTIGMINE AND GLYCOPYRROLATE CHRNA5, CHRNB4, CHRNB1 KEAP1 4144/4885NFE2L2 4798/4885ALDH1A1 4812/4885
US-11938217-B2 Ready-to-use injectable pharmaceutical compositions comprising neostigmine and glycopyrrolate CHRNA5, CHRNB4, CHRNB1 KEAP1 4144/4885NFE2L2 4798/4885ALDH1A1 4812/4885

“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.