SCHEMBL2471051

SCHEMBL2471051

CC(C)(C)C1CCC(Oc2ccc3c(c2)CCC(C(C)(N)CO)C3)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.40
▸ S1PR3 Q99500 5/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL2442996 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL2481536 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL2523148 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL3340130 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL2523147 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL2481537 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL2471048 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL2471050 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL13326275 0.90 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL2476162 0.84 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5

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 S1PR1 1/4885S1PR3 4/4885S1PR4 3/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 4/4885S1PR4 3/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 4/4885S1PR4 3/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 4/4885S1PR4 3/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 4/4885S1PR4 3/4885

“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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