SCHEMBL5481516

SCHEMBL5481516

C[C@@H](N)Cc1c[nH]c2c(OCc3ccccc3)cccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.69
PLA2G2A P14555 1/20 0.69
TRPM8 Q7Z2W7 1/20 0.69
SOS2 Q07890 1/20 0.59
ADRB3 P13945 3/20 0.56
SLC6A2 P23975 3/20 0.52
ADRB1 P08588 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HTR2A P28223 2/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTR6 P50406 1/20 0.52
ADRB2 P07550 2/20 0.46

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
SCHEMBL5648360 1.00 LTA4H (0.69) LTA4HPLA2G2ATRPM8SOS2ADRB3
Oxalic Acid SCHEMBL7571181 0.94 LTA4H (0.62) LTA4HPLA2G2ATRPM8SOS2ADRB3
SCHEMBL6617826 0.88 LTA4H (0.70) LTA4HPLA2G2ATRPM8SOS2ADRB3
SCHEMBL5859936 0.85 LTA4H (0.66) LTA4HPLA2G2ATRPM8SOS2ADRB3
SCHEMBL5859941 0.85 LTA4H (0.66) LTA4HPLA2G2ATRPM8SOS2ADRB3
SCHEMBL837541 0.84 LTA4H (0.65) LTA4HPLA2G2ATRPM8ADRB3ADRB1
SCHEMBL837542 0.84 LTA4H (0.65) LTA4HPLA2G2ATRPM8ADRB3ADRB1
SCHEMBL7867296 0.84 SOS2 (0.65) LTA4HPLA2G2ATRPM8SOS2ADRB3
SCHEMBL30579433 0.82 LTA4H (1.00) LTA4HPLA2G2ATRPM8ADRB3SLC6A4
SCHEMBL5167328 0.82 LTA4H (1.00) LTA4HPLA2G2ATRPM8ADRB3SLC6A4

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
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
CN-1675180-A Indole, indazole, and benzazole derivative SUMITOMO PHARMA (JP) 2005-09-28 CN disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP disclosed
CN-1433403-A Solid pharmaceutical preparation DAINIPPON PHARMAECUTICAL CO LT (JP) 2003-07-30 CN 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 LTA4H 3017/4885PLA2G2A 3711/4885TRPM8 1529/4885

“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.