Dimethylamine

Dimethylamine

SCHEMBL665728

CNC.N#C[C@@H]1CCCN1C(=O)CNCCOc1ccccc1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.94
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
DPP8 Q6V1X1 8/20 0.62
DPP7 Q9UHL4 5/20 0.62
PREP P48147 1/20 0.57

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
Dimethylamine SCHEMBL4594227 1.00 DPP4 (0.94) DPP4ADRB2ADRB1DPP8DPP7
SCHEMBL4594224 0.84 DPP4 (0.74) DPP4ADRB2ADRB1DPP8DPP7
SCHEMBL665727 0.84 DPP4 (0.74) DPP4ADRB2ADRB1DPP8DPP7
SCHEMBL15105511 0.80 DPP4 (1.00) DPP4ADRB2ADRB1DPP8DPP7
Hydrochloric Acid SCHEMBL15105590 0.80 DPP4 (0.98) DPP4ADRB2ADRB1DPP8DPP7
SCHEMBL666575 0.79 DPP4 (0.68) DPP4ADRB2ADRB1DPP8DPP7
SCHEMBL4594549 0.79 DPP4 (0.68) DPP4ADRB2ADRB1DPP8DPP7
SCHEMBL6597473 0.78 DPP4 (1.00) DPP4ADRB2ADRB1DPP8DPP7
SCHEMBL5916360 0.78 DPP4 (0.65) DPP4ADRB2ADRB1DPP8DPP7
Hydrochloric Acid SCHEMBL6704606 0.77 PREP (0.79) DPP4DPP8DPP7PREP

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-20120045509-A1 MODIFIED RELEASE COMPOSITIONS FOR DPP-IV INHIBITORS LOEFFLER BERND MICHAEL (CH) 2012-02-23 US disclosed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
US-20070098781-A1 Modified release compositions for DPP-IV inhibitors HOFFMANN-LA ROCHE INC. 2007-05-03 US disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 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 (5 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-20070098781-A1 Modified release compositions for DPP-IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885ADRB2 785/4885ADRB1 309/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885ADRB2 1427/4885ADRB1 586/4885
US-20120045509-A1 MODIFIED RELEASE COMPOSITIONS FOR DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885ADRB2 785/4885ADRB1 309/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885ADRB2 979/4885ADRB1 312/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885ADRB2 1427/4885ADRB1 586/4885

“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.