SCHEMBL5787393

SCHEMBL5787393

C#CCOc1ccc2cnn(C[C@H](C)NC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.47
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 3/20 0.46
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
HTR4 Q13639 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MTNR1A P48039 1/20 0.37
CHRNB2 P17787 1/20 0.37

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
SCHEMBL5636655 0.79 HTR2A (0.64) KMOCHRM1HTR2AHTR2CHTR2B
SCHEMBL4946400 0.79 HTR2A (0.64) KMOCHRM1HTR2AHTR2CHTR2B
SCHEMBL6203362 0.76 KMO (0.42) KMOCHRM2CHRM1HTR2AHTR2C
SCHEMBL5782920 0.75 CHRM2 (0.46) KMOCHRM2CHRM1HTR2AHTR2C
SCHEMBL5782917 0.75 CHRM2 (0.46) KMOCHRM2CHRM1HTR2AHTR2C
SCHEMBL5055858 0.75 MCHR1 (0.47) KMOHTR2AHTR2CHTR2BMAOA
SCHEMBL4779482 0.75 MCHR1 (0.47) KMOHTR2AHTR2CHTR2BMAOA
SCHEMBL6359649 0.71 HTR2A (0.54) KMOCHRM2CHRM1HTR2AHTR2C
SCHEMBL3545732 0.67 HTR2A (0.51) KMOHTR2AHTR2CHTR2BHTR1A
SCHEMBL5783787 0.67 HTR2A (0.51) KMOHTR2AHTR2CHTR2BHTR1A

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
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
US-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-03 US 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
US-20030171418-A1 Reducing or controlling eye pressure NOVARTIS AG (CH) 2003-09-11 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-20040106609-A1 Pyranoindazoles and their use for the treatment of glaucoma PDE3A, CYP11B2, PDE3B KMO 1212/4885CHRM2 680/4885CHRM1 1481/4885
US-20030171418-A1 Reducing or controlling eye pressure PDE3A, PDE3B, QDPR KMO 1345/4885CHRM2 365/4885CHRM1 990/4885

“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.