SCHEMBL6804682

SCHEMBL6804682

CN(C)c1c(O)ccc2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.36
HTR1B P28222 3/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
AHR P35869 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
RAD51 Q06609 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 2/20 0.34
P4HB P07237 1/20 0.34
PARP1 P09874 2/20 0.33
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
BCHE P06276 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL1400482 0.74 P2RX7 (0.38) HTR1DHTR1BALDH1A1AHRUSP2
SCHEMBL31005469 0.74 P2RX7 (0.38) HTR1DHTR1BALDH1A1AHRUSP2
SCHEMBL4623327 0.73 ALDH1A1 (0.53) HTR1DHTR1BALDH1A1PKMGAA
SCHEMBL1876842 0.73 TYR (0.40) ALDH1A1AHRUSP2GAAALOX15
Hydrochloric Acid SCHEMBL27467897 0.72 P2RX7 (0.38) HTR1DHTR1BALDH1A1AHRUSP2
SCHEMBL2503153 0.69 RHEB (0.40) AHRUSP2GAAALOX15RAD51
SCHEMBL4388854 0.69 AHR (0.47) ALDH1A1AHRUSP2GAAALOX15
SCHEMBL8813845 0.69 TYR (0.38) ALDH1A1AHRUSP2GAAALOX15
SCHEMBL1401673 0.69 P4HB (0.42) ALDH1A1AHRUSP2GAAALOX15
SCHEMBL13904855 0.69 AHR (0.38) ALDH1A1AHRUSP2GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812228-B2 TREATMENT OF PROGRESSIVE NEURODEGENERATIVE MOVEMENT DISORDERS CHARACTERIZED BY HYPOKINESIA, TREMOR, AND MUSCULAR RIGIDITY WARNER-LAMBERT COMPANY 2004-11-02 US disclosed
EP-1282625-B1 BENZOXAZINES FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE WARNER LAMBERT CO (US) 2004-06-30 EP disclosed
US-20030220335-A1 Benzoxazines for use in the treatment of parkinson's disease WARNER-LAMBERT COMPANY 2003-11-27 US disclosed
EP-1282625-A1 BENZOXAZINES FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE WARNER-LAMBERT COMPANY (US) 2003-02-12 EP disclosed
WO-2001085734-A1 BENZOXAZINES FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE WARNER-LAMBERT COMPANY (US) 2001-11-15 WO 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-20030220335-A1 Benzoxazines for use in the treatment of parkinson's disease PARK7, HAX1, SNCA HTR1D 30/4885HTR1B 21/4885ALDH1A1 251/4885

“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.