SCHEMBL2483542

SCHEMBL2483542

CC(F)(F)[C@H]1CC[C@@H](Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
SRC P12931 1/20 0.34
TEAD1 P28347 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
APP P05067 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABL1 P00519 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
ACSL1 P33121 1/20 0.32
SCN9A Q15858 1/20 0.32
MAPT P10636 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDK2 Q15119 2/20 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
SCHEMBL2451587 1.00 KCNH2 (0.41) KCNH2SRCTEAD1L3MBTL1HRH3
SCHEMBL2451589 1.00 KCNH2 (0.41) KCNH2SRCTEAD1L3MBTL1HRH3
SCHEMBL2451591 1.00 KCNH2 (0.41) KCNH2SRCTEAD1L3MBTL1HRH3
SCHEMBL2452030 0.93 KCNH2 (0.41) KCNH2SRCTEAD1HRH3APP
SCHEMBL2456421 0.93 KCNH2 (0.41) KCNH2SRCTEAD1HRH3APP
SCHEMBL2452282 0.93 KCNH2 (0.41) KCNH2SRCTEAD1HRH3APP
SCHEMBL2452283 0.93 KCNH2 (0.41) KCNH2SRCTEAD1HRH3APP
SCHEMBL2775752 0.90 KCNH2 (0.43) KCNH2SRCHRH3ABL1MAPT
SCHEMBL2775755 0.90 KCNH2 (0.43) KCNH2SRCHRH3ABL1MAPT
SCHEMBL2777056 0.90 KCNH2 (0.43) KCNH2SRCHRH3ABL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP claimed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US claimed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL 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 (2 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 KCNH2 3013/4885SRC 275/4885TEAD1 3908/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 KCNH2 3000/4885SRC 1439/4885TEAD1 2910/4885

“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.