SCHEMBL2777056

SCHEMBL2777056

CC(C)(C)[C@H]1CC[C@@H](Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
ENPP2 Q13822 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
SRC P12931 1/20 0.35
S1PR5 Q9H228 2/20 0.35
CYP19A1 P11511 1/20 0.34
ABL1 P00519 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
PTPN1 P18031 1/20 0.33
NPC1L1 Q9UHC9 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL2452603 1.00 KCNH2 (0.43) KCNH2ENPP2TRPV1SRCS1PR5
SCHEMBL2775752 1.00 KCNH2 (0.43) KCNH2ENPP2TRPV1SRCS1PR5
SCHEMBL2775755 1.00 KCNH2 (0.43) KCNH2ENPP2TRPV1SRCS1PR5
SCHEMBL2529792 0.99 KCNH2 (0.42) KCNH2ENPP2TRPV1SRCS1PR5
SCHEMBL2777405 0.92 KCNH2 (0.41) KCNH2ENPP2TRPV1SRCS1PR5
SCHEMBL2777408 0.92 KCNH2 (0.41) KCNH2ENPP2TRPV1SRCS1PR5
SCHEMBL2451587 0.90 KCNH2 (0.41) KCNH2TRPV1SRCABL1HRH3
SCHEMBL2452282 0.90 KCNH2 (0.41) KCNH2ENPP2SRCABL1HRH3
SCHEMBL2452030 0.90 KCNH2 (0.41) KCNH2ENPP2SRCABL1HRH3
SCHEMBL2456421 0.90 KCNH2 (0.41) KCNH2ENPP2SRCABL1HRH3

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 10 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
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US 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
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 KCNH2 3013/4885ENPP2 32/4885TRPV1 520/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 KCNH2 3000/4885ENPP2 83/4885TRPV1 406/4885

“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.