SCHEMBL2478321

SCHEMBL2478321

COc1ccc2c(c1)CCC(C(C)(N)CO)C2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.49
▸ DRD2 P14416 6/20 0.49
▸ DRD3 P35462 6/20 0.49
▸ CYP19A1 P11511 2/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ S1PR1 P21453 4/20 0.43
▸ S1PR3 Q99500 3/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ DRD4 P21917 2/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2475191 0.85 DRD2 (0.55) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL13326275 0.84 S1PR1 (0.40) CYP26A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL2471050 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL2523148 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL2471051 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL2471048 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL2481537 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL3340130 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL2442996 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1
SCHEMBL2523147 0.83 S1PR1 (0.40) CYP26A1DRD2DRD3CYP19A1CA1

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 15 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
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
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-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-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 CYP26A1 3735/4885DRD2 1600/4885DRD3 1673/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 CYP26A1 3735/4885DRD2 1600/4885DRD3 1673/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CYP26A1 3735/4885DRD2 1600/4885DRD3 1673/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CYP26A1 3735/4885DRD2 1600/4885DRD3 1673/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CYP26A1 3735/4885DRD2 1600/4885DRD3 1673/4885

“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.

Send feedback