SCHEMBL15740804

SCHEMBL15740804

CN(CCC(=O)O)c1nc(-c2ccc(O[C@H]3CC[C@H](C)CC3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
KMT2A Q03164 10/20 0.42
MEN1 O00255 7/20 0.42
TRPA1 O75762 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GCGR P47871 2/20 0.40
GIPR P48546 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL15740816 1.00 NPC1 (0.43) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15740801 1.00 NPC1 (0.43) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15740864 0.89 MAPT (0.41) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15740865 0.89 MAPT (0.41) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15741030 0.89 GCGR (0.43) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15741032 0.89 GCGR (0.43) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15741031 0.88 KMT2A (0.41) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3452387 0.87 ITGB3 (0.51) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL5162663 0.87 ITGB3 (0.51) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15741061 0.87 KMT2A (0.40) NPC1MAPTRAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922821-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2019-07-31 EP claimed
US-20150299123-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-22 US claimed
EP-2922821-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-09-30 EP claimed
WO-2014081756-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 WO claimed
EP-2922821-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2019-07-31 EP disclosed
US-9771326-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-09-26 US disclosed
US-20150299123-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-22 US disclosed
EP-2922821-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-09-30 EP disclosed
WO-2014081756-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 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 (1 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-20150299123-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 NPC1 1600/4885MAPT 3910/4885RAB9A 1680/4885

“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.