SCHEMBL22146554

SCHEMBL22146554

CNC(=O)OCCCOC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
NFKB1 P19838 1/20 0.52
CHRM3 P20309 1/20 0.52
MAPK1 P28482 1/20 0.52
CHRNA7 P36544 1/20 0.52
LMNA P02545 1/20 0.50
APEX1 P27695 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ACHE P22303 9/20 0.39
RECQL P46063 1/20 0.36

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
SCHEMBL25150433 0.95 EPHX1 (0.67) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL19607946 0.93 EPHX1 (0.70) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12172818 0.91 EPHX1 (0.71) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL1104746 0.86
SCHEMBL20317421 0.84 EPHX1 (0.58) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10812052 0.83 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10817110 0.83 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10812071 0.83 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10817551 0.83 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL14067802 0.83 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021027566-A1 PREPARATION METHOD FOR OXAZEPINE COMPOUND 福建广生堂药业股份有限公司 2021-02-18 WO disclosed
US-20200197409-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2020-06-25 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 (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-20200197409-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR HAVCR2, CD74, HLA-B EPHX1 1068/4885CHRNB2 3199/4885CHRNA4 3080/4885

“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.