SCHEMBL2435527

SCHEMBL2435527

COC(=O)c1ccc(OC(N(C)C)N2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 5/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL5155659 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL2433437 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL2429238 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL5153434 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL2431062 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CA1CA2
Hydrochloric Acid SCHEMBL2435965 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL2433276 0.78 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL2436081 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL5152638 0.77 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL6838647 0.75 L3MBTL1 (0.63) KDM4EMAPTGLARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 SLC6A2 2179/4885SLC6A4 1314/4885SLC6A3 3162/4885

“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.