SCHEMBL5636655

SCHEMBL5636655

CC(Cn1ncc2ccc(O)cc21)NC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.64
HTR2C P28335 9/20 0.64
HTR2B P41595 6/20 0.64
HTR1A P08908 2/20 0.64
ADRA2A P08913 2/20 0.64
ADRA2B P18089 2/20 0.64
ADRA2C P18825 2/20 0.64
HTR1D P28221 1/20 0.64
HTR7 P34969 1/20 0.64
HTR4 Q13639 1/20 0.64
KMO O15229 9/20 0.55
NOTUM Q6P988 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL4946400 1.00 HTR2A (0.64) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5050630 0.83 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5636335 0.83 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL27645810 0.81 HTR2A (0.78) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5843607 0.79 HTR2A (0.76) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4950686 0.79 HTR2A (0.76) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL28069278 0.79 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL28069280 0.79 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5787393 0.79 KMO (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6088764 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A

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-7268131-B2 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. (CH) 2007-09-11 US disclosed
US-6989445-B2 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-01-24 US disclosed
US-20050277636-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2005-12-15 US disclosed
WO-2005058911-A2 SUBSTITUTED [1,4]OXAZINO[2,3-G]INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-06-30 WO disclosed
US-20050130960-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. 2005-06-16 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-20050277636-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma PTGIS, PTGS1, PTGIR HTR2A 881/4885HTR2C 477/4885HTR2B 1198/4885
US-20050130960-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma PTGIS, PTGS1, PTGIR HTR2A 881/4885HTR2C 477/4885HTR2B 1198/4885

“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.