SCHEMBL2454617

SCHEMBL2454617

CCCC1CCC(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
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ROCK1 Q13464 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33
ABL1 P00519 1/20 0.33
CHEK2 O96017 1/20 0.33
SRC P12931 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PTPN1 P18031 1/20 0.32
IKBKB O14920 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
SCHEMBL2775431 1.00 KCNH2 (0.41) KCNH2HRH3ALDH1A1LMNAMAPT
SCHEMBL2777477 0.93 KCNH2 (0.40) KCNH2HRH3LMNAROCK1MAOA
SCHEMBL2777420 0.93 KCNH2 (0.40) KCNH2HRH3LMNAROCK1MAOA
SCHEMBL2778723 0.93 KCNH2 (0.40) KCNH2HRH3LMNAROCK1MAOA
SCHEMBL2446408 0.93 KCNH2 (0.40) KCNH2HRH3LMNAROCK1MAOA
SCHEMBL2450023 0.92 KCNH2 (0.40) KCNH2HRH3ROCK1MAOAMAOB
SCHEMBL2450020 0.92 KCNH2 (0.40) KCNH2HRH3ROCK1MAOAMAOB
SCHEMBL2450402 0.92 KCNH2 (0.40) KCNH2HRH3ROCK1MAOAMAOB
SCHEMBL2451700 0.92 KCNH2 (0.40) KCNH2HRH3ROCK1MAOAMAOB
SCHEMBL2509894 0.91 KCNH2 (0.42) KCNH2HRH3ROCK1MAOAMAOB

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
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
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO 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 3013/4885HRH3 613/4885ALDH1A1 3931/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 KCNH2 3000/4885HRH3 995/4885ALDH1A1 4095/4885

“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.