SCHEMBL4242842

SCHEMBL4242842

OCCNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.57
DPP7 Q9UHL4 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 2/20 0.52
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2C P28335 1/20 0.50
MLYCD O95822 1/20 0.50
ROCK1 Q13464 1/20 0.49
PLA2G1B P04054 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ACP3 P15309 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL8032628 0.93 SCN8A (0.57) SCN8ADPP7MEN1KMT2AKDM4E
SCHEMBL7981773 0.88 SCN8A (0.59) SCN8ADPP7MEN1KMT2AKDM4E
SCHEMBL4239980 0.86 DPP7 (0.59) SCN8ADPP7MEN1KMT2AKDM4E
SCHEMBL13918962 0.83 BCHE (0.54) SCN8AMEN1KMT2AKDM4EBCHE
SCHEMBL19288550 0.83 SCN8A (0.57) SCN8ADPP7MEN1KMT2AKDM4E
SCHEMBL7249965 0.83 TAAR1 (0.62) SCN8ADPP7MEN1KMT2AKDM4E
SCHEMBL4245054 0.83 SCN8A (0.60) SCN8ADPP7MEN1KMT2AKDM4E
SCHEMBL4260305 0.82 RHOC (0.53) SCN8AMEN1KMT2AKDM4EMLYCD
SCHEMBL22579188 0.82 KDM4E (0.63) SCN8ADPP7MEN1KMT2AKDM4E
SCHEMBL4406202 0.82 SCN8A (0.56) SCN8ADPP7MEN1KMT2AKDM4E

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-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 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
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
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAYZME PHARMACEUTICALS LTD. (CA) 2009-05-28 US disclosed
EP-1871357-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE Inflazyme Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
WO-2006108149-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAZYME PHARMACEUTICALS LTD. (CA) 2006-10-12 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-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF OPRK1, HTR3C, HTR3A SCN8A 916/4885DPP7 652/4885MEN1 1273/4885
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE CYP2A6, CYP2B6, CYP2D6 SCN8A 1026/4885DPP7 1600/4885MEN1 4777/4885

“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.