SCHEMBL5156673

SCHEMBL5156673

COC(=O)c1ccc(OCC(N)C2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
RAB9A P51151 3/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
STS P08842 1/20 0.44
LOXL2 Q9Y4K0 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
SCHEMBL20794591 0.80 MAPT (0.64) MAPTRAB9AGAATSHRLMNA
SCHEMBL6167803 0.80 CYP2C9 (0.46) MAPTTSHRALDH1A1CA1CA2
SCHEMBL20765902 0.77 MAPT (0.68) MAPTRAB9AGAATSHRLMNA
Hydrochloric Acid SCHEMBL444911 0.77 MAPT (0.58) MAPTRAB9AGAATSHRLMNA
SCHEMBL7696336 0.75 MAPT (0.57) MAPTRAB9AGAATSHRLMNA
SCHEMBL25334000 0.75 MAPT (0.66) MAPTRAB9AGAATSHRLMNA
SCHEMBL6305761 0.75 MAPT (0.66) MAPTRAB9AGAATSHRLMNA
SCHEMBL27243771 0.75 MAPT (0.66) MAPTRAB9AGAATSHRLMNA
SCHEMBL6776836 0.74 MAPT (0.64) MAPTRAB9AGAATSHRLMNA
Hydrochloric Acid SCHEMBL7860367 0.74 MAPT (0.64) MAPTRAB9AGAATSHRLMNA

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 7 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-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 MAPT 3229/4885RAB9A 2282/4885GAA 1709/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885RAB9A 1984/4885GAA 1575/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPT 3414/4885RAB9A 2225/4885GAA 1727/4885

“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.