SCHEMBL6676306

SCHEMBL6676306

CCOC(=O)c1ccccc1Oc1ccc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.49
OPRD1 P41143 7/20 0.49
OPRK1 P41145 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA4 P22748 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
SLC6A2 P23975 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
SCHEMBL6679837 0.92 KMT2A (0.43) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6541100 0.83 SMN1; SMN2 (0.68) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6539474 0.83 SMN1; SMN2 (0.52) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6679489 0.82 CA1 (0.51) MEN1KMT2AATMCA12CA1
SCHEMBL6679701 0.82 CA1 (0.51) MEN1KMT2AATMCA12CA1
SCHEMBL6540016 0.81 CA1 (0.47) MEN1KMT2AATMCA12CA1
SCHEMBL6680443 0.81 SMN1; SMN2 (0.54) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6540180 0.79 SMN1; SMN2 (0.55) MEN1KMT2AATMCA12CA1
SCHEMBL6679332 0.78 SMN1; SMN2 (0.49) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6540074 0.78 LTA4H (0.76) OPRM1OPRD1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 OPRM1 288/4885OPRD1 188/4885OPRK1 338/4885

“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.