SCHEMBL751587

SCHEMBL751587

COc1[c]c(OCCCO)ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 1/20 0.33
RECQL P46063 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 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
SCHEMBL744459 0.91 ALDH1A1 (0.41) SMN1; SMN2TSHRL3MBTL1TUBB1ALDH1A1
SCHEMBL11589552 0.81 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL16390800 0.81 ALDH1A1 (0.38) SMN1; SMN2TSHRL3MBTL1TUBB1ALDH1A1
SCHEMBL746006 0.81 SMN1; SMN2 (0.39) SMN1; SMN2TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL27598494 0.81 KDM4E (0.35) SMN1; SMN2TSHRL3MBTL1TUBB1ALDH1A1
SCHEMBL57641 0.77 ALDH1A1 (0.41) SMN1; SMN2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL743598 0.76 SMN1; SMN2 (0.38) SMN1; SMN2TSHRL3MBTL1TUBB1ALDH1A1
SCHEMBL27720358 0.75 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4EHSD17B10CYP4F2
SCHEMBL28053412 0.75 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4EHSD17B10CYP4F2
SCHEMBL27938619 0.75 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4EHSD17B10CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R SMN1; SMN2 3570/4885TSHR 135/4885L3MBTL1 4628/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SMN1; SMN2 1960/4885TSHR 136/4885L3MBTL1 4737/4885

“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.