SCHEMBL15550819

SCHEMBL15550819

COC(=O)CCC12CCC(N)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SLC1A1 P43005 1/20 0.32
GLA P06280 1/20 0.31
RECQL P46063 1/20 0.31
EPHX2 P34913 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
SCHEMBL7943512 0.83 TSHR (0.43) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL13698866 0.83 TSHR (0.43) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL13698867 0.83 TSHR (0.43) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL16111259 0.82 TSHR (0.46) TSHRLMNAKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL20542075 0.81 TSHR (0.44) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL16111260 0.81 TSHR (0.44) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL14151827 0.78 TSHR (0.50) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL16110652 0.77 TSHR (0.40) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL16110875 0.76 TSHR (0.43) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL15539095 0.75 TSHR (0.52) TSHRLMNAKDM4EKMT2AMEN1

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
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

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-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 TSHR 329/4885LMNA 2299/4885KDM4E 2288/4885
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 TSHR 216/4885LMNA 2135/4885KDM4E 3070/4885

“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.