SCHEMBL21776166

SCHEMBL21776166

COc1ccc(CC(C)(C)NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.52
MMP1 P03956 2/20 0.46
MMP13 P45452 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
IDO1 P14902 1/20 0.45
F2RL1 P55085 1/20 0.44
MMP9 P14780 1/20 0.43
CALM1 P0DP23 1/20 0.43

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
SCHEMBL14004086 0.82 LMNA (0.59) CASRHTTIDO1
SCHEMBL16341200 0.79 ACACB (0.60) CASRMMP1MMP13HTTF2RL1
SCHEMBL13996918 0.78 CASR (0.57) CASRALDH1A1
SCHEMBL809115 0.78 IDO1 (0.50) CASRHTTALDH1A1PKMIDO1
SCHEMBL11132376 0.78 IDO1 (0.50) CASRHTTALDH1A1PKMIDO1
Hydrochloric Acid SCHEMBL27494345 0.78 CASR (0.57) CASR
SCHEMBL73472 0.77 IDO1 (0.54) ALDH1A1IDO1CALM1
SCHEMBL8824562 0.77 CASR (0.46) CASRMMP1MMP13HTTALDH1A1
SCHEMBL27851489 0.76 LTA4H (0.46) CASRHTTALDH1A1PKMIDO1
SCHEMBL26695481 0.75 IDO1 (0.54) HTTALDH1A1PKMIDO1F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558954-B1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE INKE SA (ES) 2021-11-03 EP disclosed
US-10800748-B2 Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride INKE, S.A. (ES) 2020-10-13 US disclosed
US-20200062723-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE LABORATORIOS LESVI, S.L. (ES) 2020-02-27 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 (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-20200062723-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE HTR6, HTR4, HAAO CASR 559/4885MMP1 3549/4885MMP13 2377/4885
US-10800748-B2 Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride HTR6, HTR4, SLC6A6 CASR 409/4885MMP1 3441/4885MMP13 2812/4885

“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.