SCHEMBL10072578

SCHEMBL10072578

CCc1nc2c(O)cccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
DDAH1 O94760 1/20 0.53
PDE10A Q9Y233 1/20 0.52
CHEK1 O14757 1/20 0.43
GAA P10253 4/20 0.43
MGAM O43451 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
COASY Q13057 1/20 0.41
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL10397230 0.86 PDE10A (0.57) GRIN1GRIN2BDDAH1PDE10ACHEK1
SCHEMBL9533100 0.84 GRIN1 (0.55) GRIN1GRIN2BPDE10ACHEK1GAA
SCHEMBL3245583 0.83 PDE10A (0.54) GRIN1GRIN2BPDE10APARP1ALDH1A1
SCHEMBL4066021 0.82 GRIN1 (0.54) GRIN1GRIN2BPDE10ACHEK1GAA
SCHEMBL16523722 0.81 GRIN1 (0.52) GRIN1GRIN2BPDE10ACHEK1GAA
SCHEMBL4919548 0.80 DDAH1 (0.55) DDAH1GAAMGAMSIMGAM2
SCHEMBL2899660 0.80 DDAH1 (0.55) DDAH1CHEK1GAAADORA3ADORA2A
SCHEMBL30518181 0.80 DDAH1 (0.55) DDAH1GAAMGAMSIMGAM2
SCHEMBL1918622 0.79 DDAH1 (0.53) DDAH1CHEK1GAAMGAMSI
SCHEMBL17308357 0.79 DDAH1 (0.53) DDAH1CHEK1GAAMGAMSI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR GRIN1 875/4885GRIN2B 769/4885DDAH1 1125/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR GRIN1 875/4885GRIN2B 769/4885DDAH1 1125/4885

“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.