SCHEMBL5675291

SCHEMBL5675291

O=C1CCC(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.57
▸ CCR3 P51677 2/20 0.52
▸ GRIN2B Q13224 1/20 0.49
▸ HTR1A P08908 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ DDB1 Q16531 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47
▸ PRMT3 O60678 1/20 0.47
▸ CARM1 Q86X55 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ PRMT8 Q9NR22 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46

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
Bicarbonate SCHEMBL2854194 0.94 GBA1 (0.52) GBA1CCR3
SCHEMBL3699320 0.93 GBA1 (0.50) GBA1CCR3GRIN2BHTR1ASIGMAR1
Formic Acid SCHEMBL29099960 0.91 GBA1 (0.49) GBA1CCR3GRIN2BHTR1ASIGMAR1
SCHEMBL4865561 0.88 GBA1 (0.48) GBA1CCR3GRIN2BHTR1ASIGMAR1
SCHEMBL4865573 0.88 GBA1 (0.48) GBA1CCR3GRIN2BHTR1ASIGMAR1
SCHEMBL6399920 0.88 GBA1 (0.53) GBA1CCR3GRIN2BSIGMAR1DDB1
SCHEMBL6398813 0.86 GBA1 (0.52) GBA1CCR3GRIN2BSIGMAR1DDB1
SCHEMBL7306646 0.83 GRIN2B (0.75) CCR3GRIN2BPRMT3CARM1PRMT6
SCHEMBL2027845 0.82 GBA1 (0.71) GBA1CCR3GRIN2BSIGMAR1PRMT3
SCHEMBL674276 0.82 GBA1 (0.71) GBA1CCR3GRIN2BSIGMAR1PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865889-A Synthesis method of benzisoquinoline compound 山东省药学科学院 2024-04-12 — — CN claimed
CN-117865889-B Benzisoquinolines method for synthesizing compound 山东省药学科学院 2025-04-29 — — CN disclosed
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 — — EP disclosed
CN-118043471-A Process for the production of (1 r,4 r) -4-substituted cyclohexane-1-amines 吉瑞工厂 2024-05-14 — — CN disclosed
CN-117865889-A Synthesis method of benzisoquinoline compound 山东省药学科学院 2024-04-12 — — CN disclosed
WO-2023081923-A1 PLATELET-DERIVED GROWTH FACTOR RECEPTOR (PDGFR) ALPHA INHIBITORS AND USES THEREOF Frequency Therapeutics, Inc. (US) 2023-05-11 — — WO disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
EP-3962915-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2022-03-09 — — EP disclosed
CN-108474885-B Near-infrared absorbing composition for solid-state imaging element, filter, and solid-state imaging element 东洋油墨SC控股株式会社 2021-04-13 — — CN disclosed
US-5712281-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1998-01-27 — — US disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 — — EP disclosed
US-5618980-A DEHYDROGENATING N-CYCLOHEXYLIDENEAMINO COMPOUND IN PRESENCE OF HYDROGEN TRANSFER CATALYST AND HYDROGEN ACCEPTOR AND ALKALI OR ALKALINE EARTH METAL COMPOUND COCATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-08 — — US disclosed
EP-0588060-B1 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS (JP) 1997-04-02 — — EP disclosed
EP-0753505-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-15 — — EP disclosed
US-5536725-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1996-07-16 — — US disclosed
US-5536878-A HYDROGEN ACCEPTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 — — US disclosed
US-5382690-A Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 — — US disclosed
EP-0588060-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-23 — — EP disclosed
US-4346101-A NON-SEDATING THE UPJOHN COMPANY (US) 1982-08-24 — — US 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 (1 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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 GBA1 877/4885CCR3 514/4885GRIN2B 1355/4885

“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.

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