Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL21750112

COc1ccc(CC(C)(C)OC(=O)/C=C\C(=O)O)cc1.N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CTSK P43235 1/20 0.47
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
LDHA P00338 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
PTPRB P23467 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
Maleic Acid SCHEMBL21750113 0.81 ALDH1A1 (0.55) ALDH1A1TAAR1THRBATMMMP1
SCHEMBL22293355 0.80 BCHE (0.53) ALDH1A1THRBATMNPC1RAB9A
SCHEMBL28313620 0.77 ALDH1A1 (0.50) ALDH1A1TAAR1THRBATMMMP1
SCHEMBL10807885 0.75 HCAR2 (0.68) ALDH1A1TAAR1THRBATMLDHA
SCHEMBL8805999 0.75 HCAR2 (0.68) ALDH1A1TAAR1THRBATMLDHA
SCHEMBL8806009 0.75 HCAR2 (0.68) ALDH1A1TAAR1THRBATMLDHA
Maleic Acid SCHEMBL9416522 0.74 HDAC3 (0.64) ALDH1A1TAAR1THRBATMHDAC3
Fumaric Acid SCHEMBL9416528 0.74 HDAC3 (0.64) ALDH1A1TAAR1THRBATMHDAC3
Maleic Acid SCHEMBL8867414 0.74 ALDH1A1 (0.48) ALDH1A1TAAR1THRBATMMMP1
Fumaric Acid SCHEMBL8867443 0.74 ALDH1A1 (0.48) ALDH1A1TAAR1THRBATMMMP1

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 ALDH1A1 401/4885TAAR1 180/4885CTSK 3420/4885
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 ALDH1A1 304/4885TAAR1 186/4885CTSK 3538/4885

“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.