SCHEMBL26675959

SCHEMBL26675959

COc1ccc2c(c1)c(CCN1CC=CCC1)c(Br)n2COCC[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ CNR2 P34972 9/20 0.38
▸ PLA2G2A P14555 2/20 0.35
▸ CNR1 P21554 4/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ AVPR1B P47901 1/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL26675951 0.86 MAOA (0.40) MAOAMAOBNPC1
SCHEMBL26837607 0.72 MAOA (0.54) MAOAMAOBHTR6HPGDSMN1; SMN2
SCHEMBL26675948 0.70 MAOA (0.54) MAOAMAOBHTR6TSHRSMN1; SMN2
SCHEMBL32669265 0.68 MAOA (0.56) MAOAMAOB
SCHEMBL26675979 0.67 NPC1 (0.38) NPC1
SCHEMBL26675923 0.66 HTR2A (0.72) MAOAMAOBHTR6TSHR
SCHEMBL26675963 0.65 HTR6 (0.35) MAOAMAOBESR1HTR6NPC1
SCHEMBL29736069 0.65 HTR6 (0.35) MAOAMAOBESR1HTR6NPC1
SCHEMBL28840658 0.64 GRIK2 (0.39) MAOAMAOBESR1NPC1
SCHEMBL32669374 0.62 ADRB2 (0.67) MAOAMAOBHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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

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-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIA4, GRIA3, GRIN3A MAOA 435/4885MAOB 390/4885CNR2 39/4885

“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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