SCHEMBL5859936

SCHEMBL5859936

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.66
PLA2G2A P14555 2/20 0.66
TRPM8 Q7Z2W7 1/20 0.66
SCN9A Q15858 2/20 0.58
ADRB3 P13945 4/20 0.54
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.42
SOS2 Q07890 1/20 0.41
HTR2A P28223 3/20 0.40
MGLL Q99685 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5859941 1.00 LTA4H (0.66) LTA4HPLA2G2ATRPM8SCN9AADRB3
SCHEMBL5648360 0.85 LTA4H (0.69) LTA4HPLA2G2ATRPM8ADRB3ADRB2
SCHEMBL5481516 0.85 LTA4H (0.69) LTA4HPLA2G2ATRPM8ADRB3ADRB2
SCHEMBL837541 0.84 LTA4H (0.65) LTA4HPLA2G2ATRPM8ADRB3MEN1
SCHEMBL837542 0.84 LTA4H (0.65) LTA4HPLA2G2ATRPM8ADRB3MEN1
Oxalic Acid SCHEMBL7571181 0.82 LTA4H (0.62) LTA4HPLA2G2ATRPM8ADRB3MEN1
SCHEMBL5479712 0.82 TRPM8 (0.76) LTA4HPLA2G2ATRPM8ADRB3KMT2A
SCHEMBL6617826 0.81 LTA4H (0.70) LTA4HPLA2G2ATRPM8ADRB3MEN1
SCHEMBL5167328 0.80 LTA4H (1.00) LTA4HPLA2G2ATRPM8ADRB3HTR2A
SCHEMBL30579433 0.80 LTA4H (1.00) LTA4HPLA2G2ATRPM8ADRB3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115412-B2 Process for the preparation of optically active 7-substituted-3-(2-aminopropyl)indole derivatives and intermediates therefor MERCIAN CORPORATION (JP) 2006-10-03 US disclosed
US-20030181732-A1 Producing a tryptophan in the presence of a tryptophan-synthesizing enzyme originating in microorganisms, forming adrenergic receptors MERCIAN CORPORATION (JP) 2003-09-25 US disclosed
EP-1275730-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 7-SUBSTITUTED-3-(2-AMINOPROPYL)INDOLE DERIVATIVES AND INTERMEDIATES FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 2003-01-15 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 (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-20030181732-A1 Producing a tryptophan in the presence of a tryptophan-synthesizing enzyme originating in microorganisms, forming adrenergic receptors TPH1, TPH2, SRR LTA4H 223/4885PLA2G2A 2581/4885TRPM8 891/4885

“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.