SCHEMBL26675985

SCHEMBL26675985

C[Si](C)(C)CCOCn1c2c(c3ccccc31)CCN1CCCC2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ PROKR1 Q8TCW9 2/20 0.35
▸ KCNH2 Q12809 4/20 0.34
▸ PER2 O15055 8/20 0.33
▸ CRY1 Q16526 2/20 0.32
▸ CRY2 Q49AN0 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL26675933 0.87 SLC6A4 (0.36) NPC1HRH1
SCHEMBL26920029 0.86 NPC1 (0.39) NPC1PROKR1KCNH2PER2CRY1
SCHEMBL26675955 0.86 NPC1 (0.39) NPC1PROKR1KCNH2PER2CRY1
SCHEMBL26675983 0.86 NPC1 (0.39) NPC1PROKR1KCNH2PER2CRY1
SCHEMBL29736401 0.86 NPC1 (0.39) NPC1PROKR1KCNH2PER2CRY1
SCHEMBL26675974 0.79 NPC1 (0.39) NPC1ABCB1ABCG2HRH1
SCHEMBL26837265 0.74 SLC6A4 (0.45) PROKR1CYP1A2CYP2D6TSHR
SCHEMBL29736069 0.67 HTR6 (0.35) NPC1HRH1
SCHEMBL26675963 0.67 HTR6 (0.35) NPC1HRH1
SCHEMBL1392953 0.66 NPC1 (0.49) NPC1CYP1A2CYP2C19

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 5 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
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 NPC1 1099/4885PROKR1 1075/4885KCNH2 326/4885

“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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