SCHEMBL16468182

SCHEMBL16468182

COc1ccccc1OCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
ACHE P22303 2/20 0.47
MAPT P10636 6/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
HPGD P15428 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL16467954 0.88 CHRNB2 (0.49) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL16467903 0.87 SLC2A1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16468150 0.87 KMT2A (0.50) ACHEMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL15264694 0.87 ACHE (0.53) HTR1AADRA1DADRA1AADRA1BACHE
SCHEMBL16467891 0.86 SLC2A1 (0.50) ACHEMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16467906 0.85 LMNA (0.39) MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL16468093 0.85 MEN1 (0.42) HTR1AADRA1DADRA1AADRA1BACHE
SCHEMBL16468171 0.84 CHRNB2 (0.50) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL16467854 0.84 CHRNB2 (0.50) ACHEMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16467907 0.84 MTNR1A (0.43) HTR1AADRA1DADRA1AADRA1BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES AQP4, BCL6, STS HTR1A 742/4885ADRA1D 2460/4885ADRA1A 2964/4885

“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.