SCHEMBL5845013

SCHEMBL5845013

CC(O)Cn1ncc2ccc(O)c(N)c21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.58
HTR2A P28223 16/20 0.58
HTR2B P41595 8/20 0.58
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
HASPIN Q8TF76 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5845010 1.00 HTR2C (0.58) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5843697 0.82 HTR2C (0.55) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5843691 0.82 HTR2C (0.55) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL2270191 0.81 HASPIN (0.51) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5843663 0.80 HTR2C (0.53) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5844510 0.79 HTR2C (0.51) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5844513 0.79 HTR2C (0.51) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5845389 0.77 HTR2A (0.49) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5845398 0.77 HTR2A (0.49) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL31079920 0.72 HTR2C (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129257-B1 Pyrazolo[3,4- e]benzoxazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-10-31 US disclosed
US-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2006-03-30 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 (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-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma PTGIR, PDE3A, TBXA2R HTR2C 2389/4885HTR2A 3491/4885HTR2B 2273/4885

“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.