SCHEMBL6540657

SCHEMBL6540657

O=C(O)N(CCc1cccc(Sc2cccc(O)c2)c1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.52
OPRM1 P35372 12/20 0.52
OPRD1 P41143 11/20 0.52
HTR2C P28335 1/20 0.46
HTR6 P50406 1/20 0.46
DRD2 P14416 6/20 0.44
DRD3 P35462 6/20 0.44
IDO1 P14902 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL6540825 0.92 OPRK1 (0.50) OPRK1OPRM1OPRD1HTR2CHTR6
SCHEMBL6541125 0.85 SMN1; SMN2 (0.51) OPRK1OPRM1OPRD1IDO1L3MBTL1
SCHEMBL6540146 0.82 LPAR1 (0.52) HTR2CHTR6L3MBTL1
SCHEMBL6540922 0.80 L3MBTL1 (0.48) OPRK1OPRM1OPRD1IDO1L3MBTL1
SCHEMBL6539946 0.78 OPRK1 (0.51) OPRK1OPRM1OPRD1HTR6DRD2
SCHEMBL15265085 0.77 OPRK1 (0.54) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL7228409 0.76 MEN1 (0.61) L3MBTL1
SCHEMBL6539665 0.76 LPAR1 (0.57) L3MBTL1
SCHEMBL2219811 0.75 IGF1R (0.60) OPRK1DRD2DRD3L3MBTL1DRD1
SCHEMBL6541013 0.73 CA12 (0.50) OPRK1OPRM1OPRD1HTR6

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 OPRK1 89/4885OPRM1 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.