SCHEMBL26675952

SCHEMBL26675952

O=C(N1CCc2oc3ccccc3c2CC1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 1/20 0.44
CTSK P43235 1/20 0.42
NPC1 O15118 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HDAC1 Q13547 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
HPGD P15428 4/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL29736024 1.00 MTHFD2 (0.44) MTHFD2CTSKNPC1SIGMAR1HDAC1
SCHEMBL26675950 0.83 CYP3A4 (0.54) NPC1HDAC1ESR1ESR2HPGD
SCHEMBL26675898 0.83 ESR1 (0.41) ESR1ESR2KDM4EHTTMAPT
SCHEMBL29736346 0.83 CYP3A4 (0.54) NPC1HDAC1ESR1ESR2HPGD
SCHEMBL29736223 0.83 ESR1 (0.41) ESR1ESR2KDM4EHTTMAPT
SCHEMBL26675977 0.83 MTHFD2 (0.45) MTHFD2CTSKNPC1SIGMAR1HDAC1
SCHEMBL29736006 0.83 MTHFD2 (0.45) MTHFD2CTSKNPC1SIGMAR1HDAC1
SCHEMBL26675924 0.82 RAB9A (0.44) NPC1ESR1ESR2TSHRMAPT
SCHEMBL29736208 0.82 RAB9A (0.44) NPC1ESR1ESR2TSHRMAPT
SCHEMBL29736157 0.79 KDM4E (0.39) MTHFD2CTSKNPC1SIGMAR1HDAC1

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
CN-117120050-A Oxa-ibogine inspired analogues for the treatment of neurological and psychiatric disorders 纽约哥伦比亚大学董事会 2023-11-24 CN 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 MTHFD2 3074/4885CTSK 4050/4885NPC1 1099/4885

“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.