SCHEMBL6540825

SCHEMBL6540825

O=C(O)N(CCc1ccc(Sc2cccc(O)c2)cc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.50
OPRM1 P35372 6/20 0.50
OPRD1 P41143 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
RCE1 Q9Y256 1/20 0.43
C5AR1 P21730 1/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL6540657 0.92 OPRK1 (0.52) OPRK1OPRM1OPRD1L3MBTL1DRD2
SCHEMBL6540922 0.88 L3MBTL1 (0.48) OPRK1OPRM1OPRD1L3MBTL1RCE1
SCHEMBL6539665 0.83 LPAR1 (0.57) L3MBTL1MEN1KMT2ALPAR1LPAR5
SCHEMBL6541125 0.83 SMN1; SMN2 (0.51) OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL6540100 0.80 L3MBTL1 (0.59) L3MBTL1MEN1KMT2ALPAR1LPAR5
SCHEMBL6540146 0.80 LPAR1 (0.52) L3MBTL1HTR2CHTR6MEN1NPC1
SCHEMBL6540023 0.80 L3MBTL1 (0.51) L3MBTL1RCE1C5AR1CA12CA1
SCHEMBL6540580 0.79 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL6552605 0.79 LPAR1 (0.62) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL6539989 0.78 FNTA (0.49) CA12MEN1KMT2AHDAC1HDAC6

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 4 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
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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 (2 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
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 OPRK1 338/4885OPRM1 288/4885OPRD1 188/4885

“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.