SCHEMBL2777148

SCHEMBL2777148

C[C@@]1(c2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)COC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ACSL1 P33121 2/20 0.32
LMNA P02545 1/20 0.32
ACSL3 O95573 1/20 0.32
ACSL6 Q9UKU0 1/20 0.32
P2RX7 Q99572 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
APP P05067 1/20 0.31

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
SCHEMBL2449682 1.00 MGLL (0.35) MGLLDDB1CRBNACSL1LMNA
SCHEMBL2778540 1.00 MGLL (0.35) MGLLDDB1CRBNACSL1LMNA
SCHEMBL2777152 1.00 MGLL (0.35) MGLLDDB1CRBNACSL1LMNA
SCHEMBL2779946 0.91 MGLL (0.38) MGLLDDB1CRBNLMNADRD2
SCHEMBL2776594 0.91 MGLL (0.38) MGLLDDB1CRBNLMNADRD2
SCHEMBL2776591 0.91 MGLL (0.38) MGLLDDB1CRBNLMNADRD2
SCHEMBL2449681 0.88 FFAR4 (0.37) MGLL
SCHEMBL2776523 0.88 TSHR (0.37) MGLLLMNA
SCHEMBL2778370 0.88 TSHR (0.37) MGLLLMNA
SCHEMBL2776522 0.88 TSHR (0.37) MGLLLMNA

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 MGLL 833/4885DDB1 2862/4885CRBN 3833/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 MGLL 1965/4885DDB1 2866/4885CRBN 3928/4885

“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.