SCHEMBL26675983

SCHEMBL26675983

C[C@@H]1Cc2c(n(COCC[Si](C)(C)C)c3ccccc23)C2CCCN1C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ KCNH2 Q12809 8/20 0.38
▸ HRH1 P35367 3/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ PER2 O15055 6/20 0.33
▸ CRY1 Q16526 2/20 0.33
▸ CRY2 Q49AN0 2/20 0.33
▸ PROKR1 Q8TCW9 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2D6 P10635 2/20 0.31

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
SCHEMBL29736401 1.00 NPC1 (0.39) NPC1KCNH2HRH1CHRM1CYP3A4
SCHEMBL26675955 1.00 NPC1 (0.39) NPC1KCNH2HRH1CHRM1CYP3A4
SCHEMBL26920029 1.00 NPC1 (0.39) NPC1KCNH2HRH1CHRM1CYP3A4
SCHEMBL26675985 0.86 NPC1 (0.40) NPC1KCNH2HRH1CHRM1CYP3A4
SCHEMBL26675933 0.74 SLC6A4 (0.36) NPC1HRH1
SCHEMBL26675974 0.71 NPC1 (0.39) NPC1HRH1
SCHEMBL31414520 0.63 NPC1 (0.48) NPC1MEN1KMT2A
SCHEMBL2674062 0.63 — —
SCHEMBL26837322 0.63 MEN1 (0.47) KCNH2MEN1KMT2A
SCHEMBL15196606 0.63 TP53 (0.63) NPC1KCNH2HRH1CHRM1CYP2D6

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 4 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

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 NPC1 1099/4885KCNH2 326/4885HRH1 125/4885

“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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