SCHEMBL4780653

SCHEMBL4780653

CC(N)Cn1ncc2ccc3c(c21)CC(O)CO3

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.50
HTR2A P28223 18/20 0.50
HTR2B P41595 8/20 0.50
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
HTR1D P28221 1/20 0.43
HTR7 P34969 1/20 0.43
HTR4 Q13639 1/20 0.43

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
SCHEMBL4783474 1.00 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4780643 1.00 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL31079689 1.00 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4728672 1.00 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL22556167 1.00 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4783478 1.00 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1AADRA2A
Hydrochloric Acid SCHEMBL5785622 0.99 HTR2C (0.49) HTR2CHTR2AHTR2BHTR1AADRA2A
Hydrochloric Acid SCHEMBL5785530 0.99 HTR2C (0.49) HTR2CHTR2AHTR2BHTR1AADRA2A
Hydrochloric Acid SCHEMBL5785624 0.99 HTR2C (0.49) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL14259248 0.91 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AADRA2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033183-A1 PROCESS FOR PREPARING PYRANOINDAZOLE SEROTONERGIC RECEPTOR AGONISTS ALCON MANUFACTURING, LTD. (US) 2008-02-07 US claimed
US-20060073172-A1 Stabilized ophthalmic solution for the treatment of glaucoma and lowering intraocular pressure SCHNEIDER L W 2006-04-06 US claimed
EP-1392292-B1 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2006-03-01 EP claimed
US-6881749-B2 Pyranoindazoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2005-04-19 US claimed
EP-1513521-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2005-03-16 EP claimed
EP-1392658-A4 NOVEL FUSED INDAZOLES AND INDOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2004-10-13 EP claimed
EP-1392292-A4 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2004-08-11 EP claimed
US-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-03 US claimed
US-20040106597-A1 Novel fused indazoles and indoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-03 US claimed
EP-1392658-A1 NOVEL FUSED INDAZOLES AND INDOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2004-03-03 EP claimed
EP-1392292-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2004-03-03 EP claimed
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 claimed
WO-2003101379-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2003-12-11 WO claimed
US-20030171418-A1 Reducing or controlling eye pressure NOVARTIS AG (CH) 2003-09-11 US claimed
WO-2002098860-A1 NOVEL FUSED INDAZOLES AND INDOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2002-12-12 WO claimed
WO-2002098350-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2002-12-12 WO claimed
US-20080058533-A1 PYRANOINDAZOLE CYCLIC CARBONATES AND METHODS OF USE ALCON, INC. (US) 2008-03-06 US disclosed
WO-2008028021-A2 PYRANOINDAZOLE CYCLIC CARBONATES AND THEIR USE ALCON, INC. (CH) 2008-03-06 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 (5 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-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma PDE3A, CYP11B2, PDE3B HTR2C 2288/4885HTR2A 2774/4885HTR2B 2644/4885
US-20030171418-A1 Reducing or controlling eye pressure PDE3A, PDE3B, QDPR HTR2C 1978/4885HTR2A 1849/4885HTR2B 1919/4885
US-20040106597-A1 Novel fused indazoles and indoles and their use for the treatment of glaucoma IDO1, IDO2, GLI1 HTR2C 958/4885HTR2A 947/4885HTR2B 1247/4885
US-20080033183-A1 PROCESS FOR PREPARING PYRANOINDAZOLE SEROTONERGIC RECEPTOR AGONISTS HTR3A, HTR3C, HTR7 HTR2C 7/4885HTR2A 13/4885HTR2B 11/4885
US-20080058533-A1 PYRANOINDAZOLE CYCLIC CARBONATES AND METHODS OF USE CA3, CYP11B2, PDXK HTR2C 1301/4885HTR2A 3676/4885HTR2B 2562/4885

“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.