SCHEMBL5908138

SCHEMBL5908138

COC(=O)COc1cccc2c1OCCN2CCO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.50
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNN4 O15554 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
MTNR1A P48039 2/20 0.37
LMNA P02545 1/20 0.36
ALPL P05186 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7736507 0.87 PTGIR (0.63) PTGIRKDM4EALDH1A1POLBTSHR
SCHEMBL5908140 0.85 PTGIR (0.46) PTGIRKDM4EALDH1A1POLBTSHR
SCHEMBL7737053 0.83 HTR1A (0.49) PTGIRTSHRHTR1ASLC6A4ALPL
SCHEMBL13545370 0.74 CYSLTR2 (0.40) PTGIRALDH1A1POLBTSHRHTR1A
SCHEMBL7739676 0.73 PTGIR (0.55) PTGIRKDM4EALDH1A1POLBTSHR
SCHEMBL7737336 0.73 PTGIR (0.70) PTGIRKDM4EALDH1A1POLBTSHR
SCHEMBL7737108 0.72 PTGIR (0.57) PTGIRKDM4EALDH1A1POLBTSHR
SCHEMBL7729866 0.72 DRD2 (0.38) PTGIRTSHRHTR1ASLC6A4CYSLTR2
SCHEMBL7729950 0.72 PTGIR (0.58) PTGIRKDM4EALDH1A1POLBHTR1A
SCHEMBL7736529 0.72 PTGIR (0.56) PTGIRKDM4EALDH1A1POLBTSHR

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-20060040931-A1 Benzomorpholine derivatives TORAY INDUSTRIES, INC. (JP) 2006-02-23 US disclosed
CN-1735603-A The benzo morpholine derivative TORAY INDUSTRIES (JP) 2006-02-15 CN disclosed
EP-1574504-A1 BENZOMORPHOLINE DERIVATIVES TORAY INDUSTRIES, INC. (JP) 2005-09-14 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-20060040931-A1 Benzomorpholine derivatives PF4, TFPI, TBXA2R PTGIR 69/4885KDM4E 2081/4885ALDH1A1 1451/4885

“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.