SCHEMBL1280809

SCHEMBL1280809

CCOC(=O)c1ccccc1N1CCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 4/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.53
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
ALDH1A1 P00352 7/20 0.50
HTR1A P08908 1/20 0.50
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
TNNI3 P19429 1/20 0.45

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
SCHEMBL28353455 0.79 TSHR (0.61) HSD17B10MAPTMAPK1GAASMN1; SMN2
SCHEMBL28965465 0.79 TSHR (0.61) HSD17B10MAPTMAPK1GAASMN1; SMN2
SCHEMBL1280419 0.78 ALDH1A1 (0.54) GAASMN1; SMN2TSHRAPOBEC3AAPOBEC3G
SCHEMBL29572812 0.78 TSHR (0.43) HSD17B10MAPTMAPK1GAASMN1; SMN2
SCHEMBL31056388 0.77 NPC1 (0.57) HSD17B10MAPTSMN1; SMN2TSHRAPOBEC3A
SCHEMBL17185312 0.76 APOBEC3A (0.61) GAASMN1; SMN2TSHRAPOBEC3AAPOBEC3G
SCHEMBL17331874 0.76 ALDH1A1 (0.48) HSD17B10MAPTMAPK1GAASMN1; SMN2
SCHEMBL9819255 0.75 HSD17B10 (0.57) HSD17B10MAPTMAPK1GAASMN1; SMN2
SCHEMBL14687884 0.75 NPC1 (0.53) HSD17B10MAPK1GAAALDH1A1PDE3B
SCHEMBL4196712 0.75 PKM (0.67) HSD17B10MAPTTSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
CN-103261176-A 1, 4-oxazepane derivatives TAKAEDA CHEMICAL IND LTD 2013-08-21 CN disclosed
EP-2625170-A1 1,4-OXAZEPANE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2013-08-14 EP disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
WO-2012046882-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 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-20130267494-A1 1,4-OXAZEPANE DERIVATIVES MAOB, SLC6A4, SLC6A2 HSD17B10 216/4885MAPT 2268/4885MAPK1 1253/4885
US-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA HSD17B10 424/4885MAPT 926/4885MAPK1 1107/4885

“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.