SCHEMBL410123

SCHEMBL410123

N#Cc1cccc(CNCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.57
NOS1 P29475 3/20 0.52
DPP7 Q9UHL4 1/20 0.51
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
PDCD1 Q15116 7/20 0.46
CD274 Q9NZQ7 7/20 0.46
VNN1 O95497 2/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CNR1 P21554 1/20 0.45
MEP1A Q16819 1/20 0.44
MEP1B Q16820 1/20 0.44

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
SCHEMBL10859843 0.82 PDCD1 (0.53) PDCD1CD274MAOA
SCHEMBL534926 0.81 FFAR1 (0.53) SCN8ANOS1DPP7ERCC1ERCC4
SCHEMBL3266433 0.81 SCN8A (0.65) SCN8ANOS1DPP7ERCC1ERCC4
SCHEMBL10874778 0.81 SCN8A (0.61) SCN8ANOS1DPP7ERCC1ERCC4
SCHEMBL11922712 0.80 SCN8A (0.64) SCN8ANOS1DPP7MAOA
SCHEMBL2772974 0.80 SCN8A (0.64) SCN8ANOS1DPP7PDCD1CD274
SCHEMBL409441 0.79 SCN8A (0.56) SCN8ANOS1DPP7ERCC1ERCC4
SCHEMBL509459 0.79 LOXL2 (0.57) SCN8ANOS1PDCD1CD274CNR1
SCHEMBL2774523 0.78 FFAR1 (0.52) SCN8ANOS1DPP7ERCC1ERCC4
SCHEMBL320197 0.77 HRH3 (0.49) ERCC1ERCC4CNR1MEP1AMEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 EP disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-9676736-B2 4-substituent-2-hydroxylmorpholine-3-one and preparation method thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 US disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-03-26 US disclosed
EP-2837624-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2015-02-18 EP disclosed
CN-101970420-B Oxadiazole derivatives MERCK SERONO SA 2014-09-24 CN disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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 (4 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 SCN8A 3723/4885NOS1 661/4885DPP7 3851/4885
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF OPRK1, HTR3C, HTR3A SCN8A 916/4885NOS1 2039/4885DPP7 652/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SCN8A 2544/4885NOS1 386/4885DPP7 1046/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SCN8A 2544/4885NOS1 386/4885DPP7 1046/4885

“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.