SCHEMBL1205899

SCHEMBL1205899

CC(C)(C)NC(=O)OCCCCN

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ACHE P22303 12/20 0.39
PAOX Q6QHF9 2/20 0.34
CYP1A2 P05177 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CPB2 Q96IY4 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
SCHEMBL27684736 0.98 EPHX1 (0.43) EPHX1ACHEPAOXCA12CA1
SCHEMBL28056747 0.98 EPHX1 (0.43) EPHX1ACHEPAOXCA12CA1
Hydrochloric Acid SCHEMBL27247810 0.96 EPHX1 (0.42) EPHX1ACHEPAOXCA12CA1
SCHEMBL2704670 0.94 EPHX1 (0.37) EPHX1ACHECYP1A2CA12CA1
SCHEMBL28659907 0.88 PAOX (0.45) ACHEPAOXCYP1A2CA12CA1
SCHEMBL2641404 0.86 EPHX1 (0.33) EPHX1ACHECYP1A2
SCHEMBL12502048 0.86 HDAC6 (0.42) ACHEPAOXCYP1A2CA12CA1
SCHEMBL2703359 0.86 ALDH1A1 (0.33) EPHX1ACHE
Hydrochloric Acid SCHEMBL27716907 0.84 ALDH1A1 (0.33) EPHX1ACHE
Methane SCHEMBL27985713 0.84 ALDH1A1 (0.33) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985944-B A kind of new method of intracellular site specific covalent labeled RNA 中国科学院生物物理研究所 2019-05-28 CN claimed
CN-105985944-A Novel method of intracellular site-specific covalent RNA labeling 中国科学院生物物理研究所 2016-10-05 CN claimed
WO-2024210572-A1 NOVEL IMIDAZOLE DERIVATIVE AND USE THEREOF 주식회사 펠레메드 2024-10-10 WO disclosed
CN-115417870-A PD-L1 & NAMPT dual-target inhibitor and application 中国药科大学 2022-12-02 CN disclosed
CN-106164072-B Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2019-10-01 CN disclosed
CN-110114344-A New pyrimidine compound and preparation method thereof, and contain pharmaceutical composition of the compound as prevention or treating cancer and the active constituent of diseases associated with inflammation 韩国化学研究院 2019-08-09 CN disclosed
CN-105985944-B A kind of new method of intracellular site specific covalent labeled RNA 中国科学院生物物理研究所 2019-05-28 CN disclosed
CN-109608443-A Heterocycleamide as protein modulator 葛兰素史密斯克莱知识产权发展有限公司 2019-04-12 CN disclosed
CN-109563081-A It can be used as the heterocycleamide class of protein modulators 葛兰素史克知识产权开发有限公司 2019-04-02 CN disclosed
CN-109071514-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2018-12-21 CN disclosed
CN-109069489-A Diamino-alkylamino linked arylsulfonamide compounds having selective activity for voltage-gated sodium channels 默沙东公司 2018-12-21 CN disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed
CN-101044121-A 4-aminopyrimidine-5-one HOFFMANN LA ROCHE (CH) 2007-09-26 CN disclosed
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists KUREHA CORPORATION (JP) 2007-09-06 US disclosed
CN-1950343-A Amine-based basic compound and use thereof KUREHA CORP (JP) 2007-04-18 CN disclosed
US-7176227-B2 For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis KUREHA CORPORATION (JP) 2007-02-13 US disclosed
CN-1694871-A Imidazolopyridines and methods of making and using the same BIOGEN INC (US) 2005-11-09 CN disclosed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP disclosed
CN-1596255-A Heterocyclic compounds with potent chemokine receptor binding ANORMED INC (CA) 2005-03-16 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 (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-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 EPHX1 1699/4885ACHE 4149/4885PAOX 1676/4885
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists CXCR4, CXCR6, CCR5 EPHX1 2398/4885ACHE 4805/4885PAOX 2774/4885

“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.