SCHEMBL5149728

SCHEMBL5149728

COC(=O)c1ccc(OCC2CCCN2C(=O)OC(C)(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ CHRNB2 P17787 2/20 0.46
▸ CHRNA7 P36544 2/20 0.46
▸ CHRNA4 P43681 2/20 0.46
▸ UCHL1 P09936 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GABRA5 P31644 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ F2RL3 Q96RI0 2/20 0.40

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
SCHEMBL4310632 0.86 ALOX5AP (0.47) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4312760 0.86 ALOX5AP (0.47) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4310636 0.86 ALOX5AP (0.47) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL5151622 0.85 NPC1 (0.47) ALOX5APFEN1UCHL1USP30NPC1
SCHEMBL22761898 0.82 ALOX5AP (0.49) ALOX5APFEN1
SCHEMBL5153102 0.81 UCHL1 (0.44) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4741479 0.81 CHRNB2 (0.47) ALOX5APFEN1CHRNB2CHRNA4UCHL1
SCHEMBL5152035 0.81 LMNA (0.44) ALOX5APFEN1UCHL1USP30NPC1
SCHEMBL4320081 0.80 ALOX5AP (0.47) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL31615928 0.80 NPC1 (0.47) ALOX5APFEN1UCHL1USP30NPC1

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 8 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
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP 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
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 ALOX5AP 229/4885FEN1 4684/4885CHRNB2 3662/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ALOX5AP 246/4885FEN1 4687/4885CHRNB2 3086/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ALOX5AP 257/4885FEN1 4669/4885CHRNB2 3580/4885

“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.

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