SCHEMBL26837322

SCHEMBL26837322

CC1Cc2c([nH]c3ccccc23)C2CCCN1C2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CHRNA7 P36544 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ DRD1 P21728 2/20 0.44
▸ DRD5 P21918 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ RB1 P06400 5/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ BRD3 Q15059 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL26837252 0.83 ESR1 (0.46) ADRA1DADRA1AADRA1BHTR2AHTR2C
SCHEMBL26837363 0.81 MAPKAPK2 (0.50) MEN1KMT2AADRA1AHTR2AHTR2C
SCHEMBL26837318 0.81 MAPKAPK2 (0.58) KCNH2
SCHEMBL26675949 0.76 ADRA1D (0.56) MEN1KMT2ACHRNA7ADRA1DADRA1A
SCHEMBL30363160 0.71 CHRNA7 (0.67) MEN1KMT2ACHRNA7ADRA1DADRA1A
SCHEMBL30363084 0.71 CHRNA7 (0.67) MEN1KMT2ACHRNA7ADRA1DADRA1A
SCHEMBL2887057 0.71 CHRNA7 (0.67) MEN1KMT2ACHRNA7ADRA1DADRA1A
SCHEMBL12198083 0.71 ACKR3 (0.56) CHRNA7ADRA1DADRA1AADRA1BDRD1
SCHEMBL14104480 0.68 PDE5A (0.42) MEN1KMT2ACHRNA7ADRA1DADRA1A
Desbromoarborescidine A SCHEMBL29002756 0.68 CHRNA7 (0.66) MEN1KMT2ACHRNA7ADRA1DADRA1A

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 MEN1 3924/4885KMT2A 2022/4885CHRNA7 11/4885

“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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