SCHEMBL4369698

SCHEMBL4369698

O=C(O)NC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.82
EPHX2 P34913 3/20 0.65
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
ACHE P22303 1/20 0.63
POLB P06746 1/20 0.58
L3MBTL3 Q96JM7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HPGD P15428 1/20 0.56
LMNA P02545 1/20 0.56
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
MGLL Q99685 1/20 0.52
HSD11B1 P28845 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL23573505 0.90 EPHX1 (0.68) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL2131537 0.90 EPHX1 (0.68) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL23573324 0.90 EPHX1 (0.68) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL5145670 0.90 EPHX1 (1.00) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL17875071 0.88 EPHX1 (0.78) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL27735941 0.87 EPHX1 (0.77) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL6631203 0.87 EPHX1 (0.77) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL29067100 0.87 EPHX1 (0.63) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL27258750 0.87 EPHX1 (0.77) EPHX1EPHX2KMT2AMEN1ACHE
SCHEMBL8538835 0.86 EPHX2 (0.65) EPHX1EPHX2KMT2AMEN1POLB

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
EP-1487979-B2 CONSTRUCTS AND METHODS FOR THE REGULATION OF GENE EXPRESSION BASF PLANT SCIENCE GMBH (DE) 2018-12-19 EP claimed
EP-1487979-B1 CONSTRUCTS AND METHODS FOR THE REGULATION OF GENE EXPRESSION BASF PLANT SCIENCE GMBH (DE) 2009-08-26 EP claimed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
WO-2015130445-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
WO-2015130444-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 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 (1 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 EPHX1 629/4885EPHX2 959/4885KMT2A 3173/4885

“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.