SCHEMBL328815

SCHEMBL328815

COC(=O)C1CC2CCCC(C1)C2N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
BRD4 O60885 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
SCHEMBL29973670 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1035132 0.82 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22941379 0.80 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25635447 0.78 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27498804 0.78 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2220032 0.77 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5515977 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12641322 0.75 GABRR1 (0.42) SMN1; SMN2ANPEP
SCHEMBL86929 0.74 SMN1; SMN2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15563732 0.74

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944666-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2018-04-17 US disclosed
EP-2877180-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2018-01-03 EP disclosed
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 US disclosed
US-9550798-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2017-01-24 US disclosed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 US disclosed
EP-2877180-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP disclosed
WO-2014018891-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO disclosed
EP-2007719-B1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-05-02 EP disclosed
EP-2407452-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2012-01-18 EP disclosed
US-7737137-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
US-7435833-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2008-10-14 US disclosed
US-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-03-27 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 (4 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-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 CHRNB2 2820/4885CHRNA4 4085/4885CHRNB4 3699/4885
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme HSD11B1, HSD17B1, HSD11B2 CHRNB2 324/4885CHRNA4 727/4885CHRNB4 591/4885
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 CHRNB2 244/4885CHRNA4 287/4885CHRNB4 241/4885
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 CHRNB2 150/4885CHRNA4 167/4885CHRNB4 153/4885

“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.