SCHEMBL29360977

SCHEMBL29360977

CNc1ccc2c(CCN)cc(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A1 P54219 1/20 1.00
▸ SLC18A2 Q05940 1/20 1.00
▸ HSD17B3 P37058 4/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ GAA P10253 3/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA4 P22748 1/20 0.43

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
Hydrochloric Acid SCHEMBL30603352 0.99 SLC18A1 (0.97) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
Hydrochloric Acid SCHEMBL27082363 0.99 SLC18A1 (0.97) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL14669803 0.82 SLC18A1 (0.70) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL24865523 0.81 SLC18A1 (0.67) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL24832744 0.81 SLC18A1 (0.67) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL24832802 0.80 HSD17B3 (0.68) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL14527910 0.79 SLC18A1 (0.65) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL19398068 0.79 LCK (0.66) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL12433414 0.78 HSD17B3 (0.73) SLC18A1SLC18A2HSD17B3ALDH1A1GAA
SCHEMBL4209990 0.75 SLC18A1 (0.60) SLC18A1SLC18A2HSD17B3ALDH1A1CYP2D6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096017-A2 VESICULAR NEUROTRANSMITTER LEAKAGE ASSAY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-05-08 — — WO claimed
US-20250345365-A1 TREATMENT OF NEURONAL DISEASES CENTER FOR EXCELLENCE IN BRAIN SCIENCE AND INTELLIGENCE TECH CHINESE ACADEMY OF SCIENCES (CN) 2025-11-13 — — US disclosed
WO-2025096017-A2 VESICULAR NEUROTRANSMITTER LEAKAGE ASSAY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-05-08 — — WO disclosed
CN-119735674-A Anti-VMAT 2 antibodies or antigen binding fragments thereof, compositions and uses thereof 合肥综合性国家科学中心大健康研究院 2025-04-01 — — CN disclosed
US-20240150372-A1 OXA-IBOGAINE ANALOGUES FOR TREATMENT OF SUBSTANCE USE DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-05-09 — — US disclosed
CN-117750954-A Oxa-ibogine analogues for the treatment of substance use disorders 纽约哥伦比亚大学董事会 2024-03-22 — — CN disclosed
EP-4294388-A1 OXA-IBOGAINE ANALOGUES FOR TREATMENT OF SUBSTANCE USE DISORDERS The Trustees Of Columbia University In The City Of New York (US) 2023-12-27 — — EP disclosed
EP-4288048-A1 OXA-IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS The Trustees Of Columbia University In The City Of New York (US) 2023-12-13 — — EP disclosed
US-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-30 — — US disclosed
CN-117120050-A Oxa-ibogine inspired analogues for the treatment of neurological and psychiatric disorders 纽约哥伦比亚大学董事会 2023-11-24 — — CN disclosed
US-20230348465-A1 IBOGAINE ANALOGS AS THERAPEUTICS FOR NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-02 — — US disclosed
CN-116940348-A Meckel cell activator, enhancer for synaptic vesicle, neurotransmitter release promoter, method for evaluating neurotransmitter release activity of Meckel cell, and method for screening neurotransmitter release promoter of Meckel cell 株式会社资生堂 2023-10-24 — — CN disclosed
EP-4185578-A1 IBOGAINE ANALOGS AS THERAPEUTICS FOR NEUROLOGICAL AND PSYCHIATRIC DISORDERS The Trustees Of Columbia University In The City Of New York (US) 2023-05-31 — — EP disclosed
WO-2022202714-A1 MERKEL CELL ACTIVATOR, SYNAPTIC VESICLE ENHANCER, NEUROTRANSMITTER RELEASE ACCELERATOR, METHOD FOR ASSESSING NEUROTRANSMITTER RELEASE ACTIVITY OF MERKEL CELLS, AND METHOD FOR SCREENING FOR NEUROTRANSMITTER RELEASE ACCELERATOR FOR MERKEL CELLS 株式会社 資生堂 2022-09-29 — — WO disclosed
US-20220273726-A1 TREATMENT OF NEURONAL DISEASES CENTER FOR EXCELLENCE IN BRAIN SCIENCE AND INTELLIGENCE TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2022-09-01 — — US disclosed
WO-2022178099-A1 OXA-IBOGAINE ANALOGUES FOR TREATMENT OF SUBSTANCE USE DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-08-25 — — WO disclosed
WO-2022170268-A1 OXA-IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-08-11 — — WO disclosed
EP-4039801-A1 APPLICATION OF PTBP1 INHIBITOR IN PREVENTING AND/OR TREATING NERVOUS SYSTEM DISEASE RELATED TO FUNCTIONAL NEURONAL DEATH CENTER FOR EXCELLENCE IN BRAIN SCIENCE AND INTELLIGENCE TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2022-08-10 — — EP disclosed
WO-2022020352-A1 IBOGAINE ANALOGS AS THERAPEUTICS FOR NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-01-27 — — WO 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 (3 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-20230348465-A1 IBOGAINE ANALOGS AS THERAPEUTICS FOR NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRNA3, CHRNB3, CHRNA4 SLC18A1 385/4885SLC18A2 99/4885HSD17B3 1394/4885
US-20240150372-A1 OXA-IBOGAINE ANALOGUES FOR TREATMENT OF SUBSTANCE USE DISORDERS OPRD1, OPRM1, OPRK1 SLC18A1 290/4885SLC18A2 51/4885HSD17B3 297/4885
US-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIA4, GRIA3, GRIN3A SLC18A1 1145/4885SLC18A2 183/4885HSD17B3 431/4885

“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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