SCHEMBL2482496

SCHEMBL2482496

CCCC[C@H]1CC[C@@H](Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ROCK1 Q13464 2/20 0.33
S1PR1 P21453 1/20 0.32
NAAA Q02083 1/20 0.32
CCR4 P51679 1/20 0.31
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MMP12 P39900 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
BCHE P06276 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
SCHEMBL2482503 1.00 LMNA (0.33) LMNAMAOAMAOBROCK1S1PR1
SCHEMBL2455383 1.00 LMNA (0.33) LMNAMAOAMAOBROCK1S1PR1
SCHEMBL2775359 1.00 LMNA (0.33) LMNAMAOAMAOBROCK1S1PR1
SCHEMBL2451098 0.97 CYP1A2 (0.34) LMNAMAOAMAOBROCK1S1PR1
SCHEMBL2451096 0.97 CYP1A2 (0.34) LMNAMAOAMAOBROCK1S1PR1
SCHEMBL2451992 0.94 ROCK1 (0.34) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2452013 0.94 ROCK1 (0.34) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2776070 0.90 CCR4 (0.38) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2779149 0.90 CCR4 (0.38) LMNAMAOAMAOBROCK1CCR4
SCHEMBL2779153 0.90 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 LMNA 3016/4885MAOA 3924/4885MAOB 3559/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 LMNA 2435/4885MAOA 4183/4885MAOB 4219/4885

“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.