SCHEMBL2433304

SCHEMBL2433304

CC(C)(C)OC(=O)N1[C@H](COCc2ccccc2)CC[C@H]1COC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA7 P36544 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNA5 P30532 2/20 0.47
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FOLH1 Q04609 3/20 0.42
GPR119 Q8TDV5 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
ABCB1 P08183 1/20 0.39
BCHE P06276 1/20 0.39
PARP1 P09874 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CES2 O00748 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL25895846 1.00 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5SLC6A2
SCHEMBL5155694 1.00 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5SLC6A2
SCHEMBL5152462 0.86 ABCB1 (0.45) KMT2AGPR119KDM4EPKMABCB1
SCHEMBL14592677 0.86 ABCB1 (0.45) KMT2AGPR119KDM4EPKMABCB1
SCHEMBL5457099 0.86 ABCB1 (0.42) GPR119ABCB1JAK2JAK1
SCHEMBL14592644 0.86 ABCB1 (0.42) GPR119ABCB1JAK2JAK1
SCHEMBL2433710 0.86 ABCB1 (0.45) KMT2AGPR119KDM4EPKMABCB1
SCHEMBL2432631 0.86 ABCB1 (0.45) KMT2AGPR119KDM4EPKMABCB1
SCHEMBL25309011 0.85 KMT2A (0.51) CHRNB2CHRNA7CHRNA4CHRNA5SLC6A2
SCHEMBL19237001 0.84 HTR2C (0.43) GPR119KDM4EPKMABCB1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141570-A9 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2024-06-27 WO disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 CHRNB2 3662/4885CHRNA7 3464/4885CHRNA4 852/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 CHRNB2 3086/4885CHRNA7 2999/4885CHRNA4 588/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 CHRNB2 1103/4885CHRNA7 1726/4885CHRNA4 427/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 CHRNB2 3580/4885CHRNA7 3467/4885CHRNA4 844/4885

“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.