SCHEMBL6540278

SCHEMBL6540278

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
OPRM1 P35372 9/20 0.49
OPRD1 P41143 8/20 0.49
OPRK1 P41145 5/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GRIN1 Q05586 1/20 0.48
KCNH2 Q12809 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
ROCK1 Q13464 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ABL1 P00519 1/20 0.47
MAPK1 P28482 1/20 0.47
RIN1 Q13671 1/20 0.47

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
SCHEMBL6541100 0.88 SMN1; SMN2 (0.68) SMN1; SMN2OPRM1OPRD1OPRK1MAPT
SCHEMBL6541404 0.81 SMN1; SMN2 (0.65) SMN1; SMN2OPRM1OPRD1OPRK1MAPT
SCHEMBL6540432 0.81 KCNH2 (0.45) KCNH2MAPTCA12CA1CA2
SCHEMBL6540180 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALDH1A1ABL1MAPK1
Hydrochloric Acid SCHEMBL4466242 0.81 SMN1; SMN2 (0.58) SMN1; SMN2OPRM1OPRD1OPRK1GRIN2D
SCHEMBL3698685 0.80 OPRM1 (0.75) SMN1; SMN2OPRM1OPRD1OPRK1GRIN2D
SCHEMBL6540593 0.80 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALDH1A1ABL1MAPK1
SCHEMBL6539934 0.80 CA2 (0.48) MAPTALDH1A1NPSR1CA12CA1
SCHEMBL6540596 0.80 SMN1; SMN2 (0.82) SMN1; SMN2MAPTMAPK1CA12CA1
SCHEMBL6539474 0.79 SMN1; SMN2 (0.52) SMN1; SMN2OPRM1OPRD1OPRK1MAPT

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 SMN1; SMN2 2146/4885OPRM1 180/4885OPRD1 68/4885

“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.