SCHEMBL14925503

SCHEMBL14925503

CC(=N)CC(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GLA P06280 1/20 0.50
HTT P42858 2/20 0.48
TSHR P16473 3/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
FKBP1A P62942 1/20 0.41

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
SCHEMBL294991 0.83 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1GLAHTTTSHR
SCHEMBL2418238 0.83 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1GLAHTTTSHR
SCHEMBL3753324 0.83 L3MBTL1 (0.64) SMN1; SMN2L3MBTL1GLAHTTTSHR
SCHEMBL27645893 0.81 ATM (0.48) SMN1; SMN2L3MBTL1HTTPOLBALDH1A1
SCHEMBL13522679 0.81 L3MBTL1 (0.61) SMN1; SMN2L3MBTL1GLAHTTTSHR
SCHEMBL13201957 0.80 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1GLAHTTTSHR
SCHEMBL7341605 0.79 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1GLAHTTTSHR
Hydrochloric Acid SCHEMBL1822813 0.78 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1GLAHTTTSHR
SCHEMBL7380670 0.77 L3MBTL1 (0.57) SMN1; SMN2L3MBTL1GLAHTTTSHR
SCHEMBL14930159 0.77 LMNA (0.59) SMN1; SMN2L3MBTL1GLAHTTTSHR

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-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 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 (3 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 SMN1; SMN2 952/4885L3MBTL1 586/4885GLA 2888/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 SMN1; SMN2 952/4885L3MBTL1 586/4885GLA 2888/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 SMN1; SMN2 657/4885L3MBTL1 525/4885GLA 2594/4885

“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.