SCHEMBL1162183

SCHEMBL1162183

CCOC(=O)[C@@H]1CCCN(Cc2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.62
▸ KDM4E B2RXH2 7/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL18532922 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL11942427 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL18532853 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL11025167 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL1162184 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL11942426 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL1161928 0.92 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL1161930 0.92 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL21154666 0.92 ENPP2 (0.51) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL21154821 0.90 ENPP2 (0.54) ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 — — US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 — — US disclosed
US-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. 2016-05-12 — — US disclosed
US-9186367-B2 Bicyclic aryl sphingosine 1-phosphate analogs BOIGEN MA INC. (US) 2015-11-17 — — US disclosed
EP-2461683-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2015-04-29 — — EP disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
EP-2461683-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2012-06-13 — — EP disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 — — 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 (7 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-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 4545/4885KDM4E 3357/4885L3MBTL1 2527/4885
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 4545/4885KDM4E 3357/4885L3MBTL1 2527/4885
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 3931/4885KDM4E 3227/4885L3MBTL1 2051/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 4545/4885KDM4E 3357/4885L3MBTL1 2527/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 3931/4885KDM4E 3227/4885L3MBTL1 2051/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ALDH1A1 4545/4885KDM4E 3357/4885L3MBTL1 2527/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ALDH1A1 3931/4885KDM4E 3227/4885L3MBTL1 2051/4885

“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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