SCHEMBL15740865

SCHEMBL15740865

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
GCGR P47871 4/20 0.40
GIPR P48546 4/20 0.40
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ENPP2 Q13822 1/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
TRPA1 O75762 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR5 Q9H228 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL15740864 1.00 MAPT (0.41) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15741032 0.92 GCGR (0.43) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15741030 0.92 GCGR (0.43) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15740804 0.89 NPC1 (0.43) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15740816 0.89 NPC1 (0.43) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15740801 0.89 NPC1 (0.43) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL13109486 0.87 ITGB3 (0.49) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15741031 0.86 KMT2A (0.41) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15741061 0.84 KMT2A (0.40) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL15741115 0.84 RAB9A (0.41) MAPTALDH1A1NPC1LMNARAB9A

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 MAPT 3910/4885ALDH1A1 4063/4885NPC1 1600/4885

“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.