SCHEMBL3420730

SCHEMBL3420730

O=C(O)[C@H]1C[C@@H](Cc2cc[c]c(F)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
GRIN2B Q13224 2/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
HTT P42858 1/20 0.31
NOTUM Q6P988 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIK1 P39086 1/20 0.30

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
SCHEMBL3422418 1.00 IDO1 (0.33) IDO1GRIN2BGRM2GRM3OPRM1
SCHEMBL3420727 1.00 IDO1 (0.33) IDO1GRIN2BGRM2GRM3OPRM1
SCHEMBL15163401 0.79 CA1 (0.51) CA1CA2CA9CA12
SCHEMBL15163175 0.79 CA1 (0.51) CA1CA2CA9CA12
SCHEMBL1663639 0.78 CA1 (0.41) GRM2GRM3CA1CA2CA9
SCHEMBL3419399 0.78 GRM2 (0.31) GRM2GRM3
SCHEMBL3419251 0.76 L3MBTL1 (0.31) L3MBTL1
SCHEMBL1662597 0.76 L3MBTL1 (0.31) L3MBTL1
SCHEMBL1661475 0.75 S1PR5 (0.51) KCNH2
SCHEMBL4531350 0.74 NR1D2 (0.32) OPRM1OPRD1OPRK1

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
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 IDO1 862/4885GRIN2B 1279/4885GRM2 598/4885

“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.