SCHEMBL9527738

SCHEMBL9527738

CCc1nc2c(OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DDAH1 O94760 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
CBFB Q13951 1/20 0.46
SRD5A2 P31213 1/20 0.44
DHODH Q02127 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
SCHEMBL7977160 0.87 NPC1 (0.47) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL9528101 0.86 RHEB (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7619109 0.83 DRD2 (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7685877 0.82 NPC1 (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL18304068 0.81 DRD2 (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7690181 0.80 RAB9A (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3968906 0.78 DDAH1 (0.49) PDE5ADRD2DRD4DRD3MAPT
SCHEMBL659238 0.78 L3MBTL1 (0.47) MAPTMAPK1TDP1L3MBTL1DDAH1
SCHEMBL9529342 0.75 DRD4 (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6586376 0.74 SRD5A2 (0.52) PDE5APDE4APDE4BPDE4CPDE4D

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 6 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
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
EP-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed
EP-0266326-A1 Novel derivatives of benzimidazoles active as anti-ulcer agents Aktiebolaget Hässle (SE) 1988-05-04 EP 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 PDE5A 302/4885PDE4A 390/4885PDE4B 649/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PDE5A 302/4885PDE4A 390/4885PDE4B 649/4885

“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.