SCHEMBL659788

SCHEMBL659788

CCc1nc2c(O)cccc2n1Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
GABRA1 P14867 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH1 P35367 1/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX5AP P20292 1/20 0.38
PIK3C2B O00750 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 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
SCHEMBL22547536 0.73 DCTPP1 (0.47) TLR8TLR7RAB9APIK3C2B
SCHEMBL7975692 0.71 TLR8 (0.49) TLR8TLR7ALDH1A1MEN1KMT2A
SCHEMBL7975769 0.69 ALDH1A1 (0.51) TLR8ALDH1A1MEN1KMT2ARAB9A
SCHEMBL29090786 0.69 HRH1 (0.56) ALDH1A1HRH1BRD4MEN1KMT2A
SCHEMBL6657286 0.67 TLR8 (0.54) TLR8ALDH1A1MEN1KMT2ARAB9A
SCHEMBL7978785 0.65 TLR8 (0.52) TLR8ALDH1A1MEN1KMT2ARAB9A
SCHEMBL20937930 0.65 BRD4 (0.56) GABRA5GABRA1BRD4KCNH2ALOX5AP
SCHEMBL6693276 0.65 ADRA1D (0.44) GABRA5GABRA1ALDH1A1KCNH2KDM4E
SCHEMBL29090789 0.65 HRH1 (0.49) ALDH1A1HRH1BRD4MEN1KMT2A
SCHEMBL6652751 0.64 TLR8 (0.58) TLR8ALDH1A1MEN1KMT2AKDM4E

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 11 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
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
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 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
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
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 US 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 GABRA5 206/4885TLR8 546/4885TLR7 467/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR GABRA5 206/4885TLR8 546/4885TLR7 467/4885

“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.