SCHEMBL2452283

SCHEMBL2452283

CC(N)(CO)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
APP P05067 1/20 0.40
CYP2C9 P11712 1/20 0.40
SRC P12931 1/20 0.34
TEAD1 P28347 1/20 0.34
ENPP2 Q13822 7/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ABL1 P00519 1/20 0.33
LPAR1 Q92633 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
ACSL1 P33121 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
SCHEMBL2452282 1.00 KCNH2 (0.41) KCNH2APPCYP2C9SRCTEAD1
SCHEMBL2456421 1.00 KCNH2 (0.41) KCNH2APPCYP2C9SRCTEAD1
SCHEMBL2452030 1.00 KCNH2 (0.41) KCNH2APPCYP2C9SRCTEAD1
SCHEMBL2451589 0.93 KCNH2 (0.41) KCNH2APPCYP2C9SRCTEAD1
SCHEMBL2483542 0.93 KCNH2 (0.41) KCNH2APPCYP2C9SRCTEAD1
SCHEMBL2451587 0.93 KCNH2 (0.41) KCNH2APPCYP2C9SRCTEAD1
SCHEMBL2451591 0.93 KCNH2 (0.41) KCNH2APPCYP2C9SRCTEAD1
SCHEMBL2775752 0.90 KCNH2 (0.43) KCNH2SRCENPP2HRH3ABL1
SCHEMBL2775755 0.90 KCNH2 (0.43) KCNH2SRCENPP2HRH3ABL1
SCHEMBL2777056 0.90 KCNH2 (0.43) KCNH2SRCENPP2HRH3ABL1

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 3013/4885APP 2542/4885CYP2C9 4586/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 KCNH2 3000/4885APP 3785/4885CYP2C9 4882/4885

“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.