SCHEMBL4950686

SCHEMBL4950686

CC(O)Cn1ncc2ccc(O)cc21

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.76
HTR2C P28335 11/20 0.76
HTR2B P41595 8/20 0.76
HTR1A P08908 2/20 0.76
ADRA2A P08913 2/20 0.76
ADRA2B P18089 2/20 0.76
ADRA2C P18825 2/20 0.76
HTR1D P28221 1/20 0.76
HTR7 P34969 1/20 0.76
HTR4 Q13639 1/20 0.76
KMO O15229 7/20 0.50
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 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
SCHEMBL5843607 1.00 HTR2A (0.76) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL27645810 0.89 HTR2A (0.78) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4779282 0.86 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31079586 0.86 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL475894 0.86 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6088764 0.86 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31079457 0.84 HTR2A (0.70) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8007696 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL28069278 0.81 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL28069280 0.81 HTR2A (0.71) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425572-B2 Use of dioxindoindazoles and dioxoloindazoles for treating glaucoma ALCON, INC. (CH) 2008-09-16 US disclosed
US-7129257-B1 Pyrazolo[3,4- e]benzoxazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-10-31 US disclosed
WO-2006062839-A1 USE OF DIOXINDOINDAZOLES AND DIOXOLOINDAZOLES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2006-06-15 WO disclosed
US-20060122251-A1 Use of dioxindoindazoles and dioxoloindazoles for treating glaucoma ALCON, INC. 2006-06-08 US disclosed
US-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2006-03-30 US disclosed
EP-1392292-B1 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2006-03-01 EP disclosed
US-6881749-B2 Pyranoindazoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2005-04-19 US disclosed
EP-1513521-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2005-03-16 EP disclosed
EP-1392292-A4 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2004-08-11 EP disclosed
US-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-03 US disclosed
EP-1392292-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2004-03-03 EP disclosed
US-6696476-B2 SUCH AS 1-(2-AMINOPROPYL)-1,7,8,9-TETRAHYDRO-PYRANO(2,3-G)-INDAZOL-8-OL; LOWERING AND CONTROLLING INTRAOCULAR PRESSURE ALCON, INC. (CH) 2004-02-24 US disclosed
WO-2003101379-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2003-12-11 WO disclosed
US-20030171418-A1 Reducing or controlling eye pressure NOVARTIS AG (CH) 2003-09-11 US disclosed
WO-2002098350-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2002-12-12 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 (4 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-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma PTGIR, PDE3A, TBXA2R HTR2A 3491/4885HTR2C 2389/4885HTR2B 2273/4885
US-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma PDE3A, CYP11B2, PDE3B HTR2A 2774/4885HTR2C 2288/4885HTR2B 2644/4885
US-20030171418-A1 Reducing or controlling eye pressure PDE3A, PDE3B, QDPR HTR2A 1849/4885HTR2C 1978/4885HTR2B 1919/4885
US-20060122251-A1 Use of dioxindoindazoles and dioxoloindazoles for treating glaucoma CYP11B2, CYP11B1, PDE3A HTR2A 3209/4885HTR2C 2047/4885HTR2B 3390/4885

“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.