Methylamine

Methylamine

SCHEMBL5152065

CCOC(=O)c1ccc(OCCC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)c(OC)c1.CN

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ITGA4 P13612 4/20 0.46
▸ ITGB1 P05556 3/20 0.46
▸ GAA P10253 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 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
SCHEMBL5151694 0.91 MEN1 (0.46) MEN1KMT2AITGA4ITGB1GAA
Methylamine SCHEMBL5153208 0.91 ITGA4 (0.52) MEN1KMT2AITGA4ITGB1GAA
SCHEMBL5152058 0.86 LTB4R (0.46) MEN1KMT2AITGA4ITGB1GAA
SCHEMBL5151711 0.84 ITGA4 (0.47) MEN1KMT2AITGA4ITGB1GAA
SCHEMBL5153464 0.83 GAA (0.42) MEN1KMT2AGAASMN1; SMN2MAPT
SCHEMBL5152047 0.83 SMN1; SMN2 (0.41) MEN1KMT2AGAASMN1; SMN2MAPT
SCHEMBL5153338 0.83 MEN1 (0.44) MEN1KMT2AITGA4ITGB1GAA
SCHEMBL5152050 0.82 ITGA4 (0.50) MEN1KMT2AITGA4ITGB1GAA
SCHEMBL5152068 0.82 ITGA4 (0.46) MEN1KMT2AITGA4ITGB1GAA
SCHEMBL5152978 0.82 ITGA4 (0.50) MEN1KMT2AITGA4ITGB1GAA

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 MEN1 2953/4885KMT2A 1046/4885ITGA4 3/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MEN1 3283/4885KMT2A 735/4885ITGA4 4/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MEN1 3022/4885KMT2A 918/4885ITGA4 5/4885

“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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