SCHEMBL2451098

SCHEMBL2451098

CCCCCC1CCC(Oc2ccc3cc(C4(C)COC(=O)N4)ccc3c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
S1PR1 P21453 1/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
ROCK1 Q13464 2/20 0.32
PARP1 P09874 1/20 0.30
CCR4 P51679 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL2451096 1.00 CYP1A2 (0.34) CYP1A2S1PR1LMNAMAOAMAOB
SCHEMBL2482496 0.97 LMNA (0.33) CYP1A2S1PR1LMNAMAOAMAOB
SCHEMBL2775359 0.97 LMNA (0.33) CYP1A2S1PR1LMNAMAOAMAOB
SCHEMBL2455383 0.97 LMNA (0.33) CYP1A2S1PR1LMNAMAOAMAOB
SCHEMBL2482503 0.97 LMNA (0.33) CYP1A2S1PR1LMNAMAOAMAOB
SCHEMBL2452013 0.93 ROCK1 (0.34) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2451992 0.93 ROCK1 (0.34) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2776070 0.89 CCR4 (0.38) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2779149 0.89 CCR4 (0.38) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2779153 0.89 CCR4 (0.38) LMNAMAOAMAOBROCK1CCR4

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 7 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 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 CYP1A2 4004/4885S1PR1 1/4885LMNA 3016/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 CYP1A2 4821/4885S1PR1 1/4885LMNA 2435/4885

“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.