SCHEMBL2779153

SCHEMBL2779153

CCC1CCC(Oc2ccc3cc(C4(C)COC(=O)N4)ccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.38
ROCK1 Q13464 5/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
LMNA P02545 1/20 0.33
PTPN1 P18031 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKG1 Q13976 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
Q6ZSR9 Q6ZSR9 1/20 0.32
BMP2K Q9NSY1 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
SCHEMBL2779149 1.00 CCR4 (0.38) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2776070 1.00 CCR4 (0.38) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2452013 0.92 ROCK1 (0.34) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2451992 0.92 ROCK1 (0.34) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2482496 0.90 LMNA (0.33) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2775359 0.90 LMNA (0.33) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2482503 0.90 LMNA (0.33) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2455383 0.90 LMNA (0.33) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2451098 0.89 CYP1A2 (0.34) CCR4ROCK1MAOBMAOALMNA
SCHEMBL2451096 0.89 CYP1A2 (0.34) CCR4ROCK1MAOBMAOALMNA

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 5 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
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US 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 CCR4 358/4885ROCK1 1397/4885MAOB 3559/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 CCR4 1194/4885ROCK1 2949/4885MAOB 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.