Dimethylamine

Dimethylamine

SCHEMBL1406822

C=C(C(=O)OCC)C(=O)C(F)(F)F.CNC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GPR35 Q9HC97 1/20 0.36
CES2 O00748 3/20 0.35
ACHE P22303 3/20 0.35
CES1 P23141 3/20 0.35
GLO1 Q04760 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12918771 0.94 ALDH1A1 (0.46) ALDH1A1MAPTTSHRCYP2D6SMN1; SMN2
Diethylamine SCHEMBL6887134 0.89 ALDH1A1 (0.40) ALDH1A1MAPTTSHRCYP2D6SMN1; SMN2
Dimethylamine SCHEMBL6890500 0.82 ALDH1A1 (0.41) ALDH1A1MAPTCES2ACHECES1
Dimethylamine SCHEMBL6889290 0.81 ALDH1A1 (0.46) ALDH1A1MAPTTSHRCYP2D6SMN1; SMN2
SCHEMBL166910 0.79 ALDH1A1 (0.43) ALDH1A1MAPTTSHRCYP2D6SMN1; SMN2
Water SCHEMBL3826998 0.77 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMGAMGAA
SCHEMBL79588 0.76 ALDH1A1 (0.56) ALDH1A1MAPTTSHRCYP2D6SMN1; SMN2
SCHEMBL13269637 0.76 ALDH1A1 (0.56) ALDH1A1MAPTTSHRCYP2D6SMN1; SMN2
SCHEMBL28293945 0.76 ALDH1A1 (0.56) ALDH1A1MAPTTSHRCYP2D6SMN1; SMN2
SCHEMBL20907144 0.76 HDAC4 (0.39) ALDH1A1MAPTTSHRMGAMGAA

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
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US disclosed
US-6706911-B1 REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 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 (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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 ALDH1A1 132/4885MAPT 4272/4885TSHR 2768/4885

“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.