SCHEMBL26837598

SCHEMBL26837598

Brc1oc2ccccc2c1CCN1CC=CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.52
▸ ABCB1 P08183 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.38
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL26837607 0.81 MAOA (0.54) MAOAMAOBHRH3ALDH1A1KDM4E
SCHEMBL26675957 0.75 MAOA (0.51) MAOAMAOBALDH1A1KDM4E
SCHEMBL26837593 0.72 PLK1 (0.40) MAOAABCB1ALDH1A1LMNAKDM4E
SCHEMBL1751922 0.71 ALDH1A1 (0.57) MAOAABCB1ALDH1A1LMNAKDM4E
SCHEMBL8544175 0.70 MAOA (1.00) MAOAMAOBSIGMAR1
SCHEMBL1427550 0.67 MAOA (0.71) MAOAMAOBHRH3ADRA1ASIGMAR1
SCHEMBL31499095 0.67 PLK1 (0.47) MAOAABCB1ALDH1A1LMNAKDM4E
SCHEMBL595563 0.67 PLK1 (0.47) MAOAABCB1ALDH1A1LMNAKDM4E
SCHEMBL595885 0.66 ALDH1A1 (0.41) MAOAABCB1MAOBALDH1A1LMNA
SCHEMBL4315787 0.61 MAOA (0.71) MAOAMAOBHRH3ALDH1A1LMNA

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 435/4885ABCB1 716/4885MAOB 390/4885

“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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