SCHEMBL21001065

SCHEMBL21001065

CNC(=O)OCCNCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
MAPK1 P28482 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
NFKB1 P19838 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.43
ACHE P22303 8/20 0.41
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL5244516 0.84 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL21458805 0.84 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL5250584 0.84 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL21069231 0.84 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL22631510 0.81 EPHX1 (0.55) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL852267 0.80
SCHEMBL5246725 0.78 EPHX1 (0.47) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL17433063 0.78 TSHR (0.37) MAPK1LMNASMN1; SMN2TSHRMEN1
SCHEMBL5251231 0.78 EPHX1 (0.47) CHRNB2CHRNA4MAPK1CHRM2CHRM4
Hydrochloric Acid SCHEMBL27700989 0.78

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
US-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-07-27 US disclosed
US-11633492-B2 Process for the synthesis of linker-drug vc-seco-DUBA BYONDIS B.V. (NL) 2023-04-25 US disclosed
EP-3713939-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO BYONDIS BV (NL) 2021-07-21 EP disclosed
US-20200368362-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO-DUBA BYONDIS B.V. (NL) 2020-11-26 US disclosed
EP-3713939-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO Byondis B.V. (NL) 2020-09-30 EP disclosed
WO-2019101850-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO-DUBA SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2019-05-31 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 (3 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-11633492-B2 Process for the synthesis of linker-drug vc-seco-DUBA VCL, VCP, UBA2 CHRNB2 3289/4885CHRNA4 3762/4885MAPK1 3044/4885
US-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME FUT5, FUT6, SIGLEC7 CHRNB2 2192/4885CHRNA4 2983/4885MAPK1 2863/4885
US-20200368362-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO-DUBA UBE3A, VCP, VCL CHRNB2 3163/4885CHRNA4 3043/4885MAPK1 3762/4885

“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.