SCHEMBL26837607

SCHEMBL26837607

COc1ccc2oc(Br)c(CCN3CC=CCC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.54
▸ MAOB P27338 2/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HTR1A P08908 3/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ HTR2A P28223 2/20 0.36

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
SCHEMBL26837598 0.81 MAOA (0.52) MAOAMAOBHRH3KDM4EALDH1A1
SCHEMBL26675948 0.78 MAOA (0.54) MAOAMAOBHRH3KDM4EALDH1A1
SCHEMBL32669265 0.77 MAOA (0.56) MAOAMAOBHTR1A
SCHEMBL26837606 0.76 KDM4E (0.50) MAOAKDM4ENPC1ALDH1A1MAPT
SCHEMBL26675959 0.72 MAOA (0.45) MAOAMAOBNPC1HPGDSMN1; SMN2
SCHEMBL26675923 0.70 HTR2A (0.72) MAOAMAOBMAPTHTR1AHTR7
SCHEMBL25969463 0.65 HTR1D (0.64) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL25969475 0.64 TSHR (0.56) HRH3KDM4EALDH1A1MAPTHPGD
SCHEMBL22073807 0.63 MAOA (0.72) MAOAMAOBHRH3KDM4EALDH1A1
SCHEMBL18045173 0.62 ALDH1A1 (0.77) MAOAKDM4ENPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 390/4885HRH3 63/4885

“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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