Dimethylamine

Dimethylamine

SCHEMBL5073301

CCOc1ccc(-c2cc3c(C(N)=O)cccc3[nH]2)cc1.CNC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC11 Q96DB2 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
CHEK2 O96017 1/20 0.43
CHEK1 O14757 1/20 0.43
MAP4K4 O95819 1/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
PIM1 P11309 1/20 0.43
PHKG2 P15735 1/20 0.43
MARK3 P27448 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
ITK Q08881 1/20 0.43

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
SCHEMBL5072083 0.83 KDM4E (0.58) MEN1KMT2AHDAC11KDM4EPARP1
SCHEMBL5073297 0.82 TNKS (0.56) CTSVCTSLHDAC11KDM4ECHEK2
SCHEMBL10699688 0.81 CTSV (0.47) CTSVCTSLHDAC11KDM4ECHEK1
SCHEMBL5072000 0.79 PARP1 (0.53) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL5074112 0.79 PARP1 (0.53) CTSVCTSLCHEK2CHEK1PARP1
SCHEMBL5072014 0.79 HPGD (0.55) CTSVCTSLMEN1KMT2AHDAC11
SCHEMBL5074012 0.78 PARP1 (0.54) CTSVCTSLKDM4ECHEK2CHEK1
SCHEMBL5074225 0.78 BRD4 (0.54) CTSVCTSLHDAC11KDM4ECHEK2
SCHEMBL5077305 0.78 PARP1 (0.53) CTSVCTSLHDAC11KDM4EPARP1
SCHEMBL5074089 0.78 PARP1 (0.63) CHEK2CHEK1KDRFLT3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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 (2 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 CTSV 383/4885CTSL 503/4885MEN1 4810/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 CTSV 2225/4885CTSL 2120/4885MEN1 3360/4885

“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.