SCHEMBL5151622

SCHEMBL5151622

COC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
CHEK2 O96017 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX5AP P20292 3/20 0.45
FEN1 P39748 1/20 0.45
UCHL1 P09936 1/20 0.45
USP30 Q70CQ3 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL28524412 0.89 MEN1 (0.49) NPC1CHEK2HRH2HRH1GPR119
SCHEMBL2429206 0.89 MEN1 (0.49) NPC1CHEK2HRH2HRH1GPR119
SCHEMBL5149970 0.89 ALOX5AP (0.48) NPC1CHEK2HRH2HRH1GPR119
SCHEMBL5149980 0.89 ALOX5AP (0.48) NPC1CHEK2HRH2HRH1GPR119
SCHEMBL6535308 0.89 GPR119 (0.49) CHEK2HRH2HRH1GPR119ALOX5AP
SCHEMBL6535548 0.89 GPR119 (0.49) CHEK2HRH2HRH1GPR119ALOX5AP
SCHEMBL26999489 0.87 CHRNB4 (0.47) ALOX5APFEN1UCHL1USP30
SCHEMBL29410752 0.87 CHRNB4 (0.47) ALOX5APFEN1UCHL1USP30
SCHEMBL29039401 0.87 CHRNB4 (0.47) ALOX5APFEN1UCHL1USP30
SCHEMBL4316665 0.87 NPC1 (0.54) NPC1CHEK2HRH2HRH1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 NPC1 2939/4885CHEK2 4806/4885HRH2 2677/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 NPC1 3300/4885CHEK2 4827/4885HRH2 2740/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 NPC1 2981/4885CHEK2 4838/4885HRH2 2565/4885

“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.