SCHEMBL26836992

SCHEMBL26836992

CC1Cc2c(c3cc(O)ccc3n2C)CCN1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A4 P31645 2/20 0.43
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL26836961 0.78 ALOX5 (0.58) ALOX5PTGS1PTGS2SLC6A4GAA
SCHEMBL8756918 0.75 ALOX5 (0.54) ALOX5PTGS1PTGS2SLC6A4GAA
SCHEMBL26675964 0.72 CYP3A4 (0.55) ACHE
SCHEMBL29736086 0.72 CYP3A4 (0.55) ACHE
SCHEMBL8757766 0.72 ALOX5 (0.50) ALOX5PTGS1PTGS2SLC6A4BCHE
SCHEMBL26836994 0.72 DRD1 (0.56) SLC6A4DRD2DRD1DRD5DRD3
SCHEMBL8756914 0.72 ALOX5 (0.50) ALOX5PTGS1PTGS2SLC6A4BCHE
SCHEMBL7657617 0.71 ALOX5 (0.56) ALOX5PTGS1PTGS2SLC6A4BCHE
Hydrochloric Acid SCHEMBL8758460 0.71 ALOX5 (0.49) ALOX5PTGS1PTGS2SLC6A4BCHE
SCHEMBL26838578 0.70 CYP3A4 (0.52) ALOX5PTGS1PTGS2DRD2DRD1

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 ALOX5 3288/4885PTGS1 3765/4885PTGS2 3794/4885

“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.