SCHEMBL2477450

SCHEMBL2477450

CCOC(=O)C(NC(C)=O)(C(=O)O)C1CCc2cc(OC)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.46
▸ MTNR1B P49286 8/20 0.46
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ ACHE P22303 3/20 0.43
▸ NQO2 P16083 7/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CYP26A1 O43174 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
SCHEMBL13954516 0.83 ALDH1A1 (0.38) MTNR1AMTNR1BDRD2DRD3
SCHEMBL2471973 0.82 CA1 (0.45) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL17022155 0.81 CA1 (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL14457174 0.80 TAAR1 (0.48) MTNR1AMTNR1BDRD2
SCHEMBL2474929 0.79 CA1 (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2283157 0.77 S1PR1 (0.54) DRD2DRD3
SCHEMBL7289390 0.71 DRD2 (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL630214 0.71 DRD2 (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2283164 0.71 S1PR1 (0.49) DRD2DRD3
SCHEMBL2305878 0.69 CYP26A1 (0.56) MTNR1AMTNR1BCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 — — US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 — — US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 — — US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 — — EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 — — US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 — — US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 — — US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 — — US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 — — EP disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 — — US disclosed
WO-2010051031-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 — — 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 (5 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 MTNR1A 1613/4885MTNR1B 1015/4885CA1 4768/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 MTNR1A 1613/4885MTNR1B 1015/4885CA1 4768/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 MTNR1A 1613/4885MTNR1B 1015/4885CA1 4768/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 MTNR1A 1613/4885MTNR1B 1015/4885CA1 4768/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 MTNR1A 1613/4885MTNR1B 1015/4885CA1 4768/4885

“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.

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