SCHEMBL7485644

SCHEMBL7485644

O=C1/C(=N\O)Cc2cc3c(cc21)OCO3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
ACHE P22303 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.39
CYP2D6 P10635 3/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL21754357 1.00 CYP2C19 (0.49) CYP2C19ALDH1A1CYP1A2ACHEKDM4E
SCHEMBL7485649 1.00 CYP2C19 (0.49) CYP2C19ALDH1A1CYP1A2ACHEKDM4E
SCHEMBL25225372 0.87 ALDH1A1 (0.46) CYP2C19ALDH1A1CYP1A2ACHEKDM4E
SCHEMBL29187355 0.84 PTPRC (0.51) CYP2C19ALDH1A1CYP1A2KDM4EHTT
SCHEMBL25272208 0.84 ACHE (0.40) CYP2C19ALDH1A1CYP1A2ACHEKDM4E
SCHEMBL25690136 0.81 ALDH1A1 (0.46) CYP2C19ALDH1A1CYP1A2
SCHEMBL8204533 0.77 CYP2D6 (0.49) CYP2C19ALDH1A1CYP1A2ACHEKDM4E
SCHEMBL23519692 0.75 ALDH1A1 (0.55) CYP2C19ALDH1A1CYP1A2HTTTDP1
SCHEMBL2695765 0.75 ALDH1A1 (0.50) CYP2C19ALDH1A1CYP1A2CYP2D6
SCHEMBL2695763 0.75 ALDH1A1 (0.50) CYP2C19ALDH1A1CYP1A2CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000641-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (IMDAI) TERRAN BIOSCIENCES INC (US) 2026-01-01 US disclosed
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES INC (US) 2023-06-15 US disclosed
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES INC (US) 2023-06-15 US disclosed
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES INC (US) 2023-06-15 US disclosed
WO-2023081895-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
EP-0982305-B1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-03-06 EP disclosed
US-6153625-A Indan-1-ol compounds ADIR ET COMPAGNIE (FR) 2000-11-28 US disclosed
EP-0982305-A1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-03-01 EP 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 (2 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-20260000641-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (IMDAI) DRD2, HTR1D, DRD1 CYP2C19 493/4885ALDH1A1 1746/4885CYP1A2 853/4885
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) ECI1, GDI2, GDI1 CYP2C19 1405/4885ALDH1A1 124/4885CYP1A2 446/4885

“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.