SCHEMBL7609172

SCHEMBL7609172

O=C(O)c1ccccc1NCCCN1c2ccccc2CCc2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 11/20 0.61
HDAC6 Q9UBN7 11/20 0.61
HDAC1 Q13547 8/20 0.61
HDAC2 Q92769 8/20 0.61
CYP3A4 P08684 4/20 0.54
SLC6A2 P23975 4/20 0.54
DRD2 P14416 4/20 0.54
DRD3 P35462 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CHRM1 P11229 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
CHRM3 P20309 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
SLC6A4 P31645 3/20 0.54
ADRA1A P35348 3/20 0.54
HRH1 P35367 3/20 0.54
OPRK1 P41145 3/20 0.54

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
SCHEMBL7604289 0.90 SLC6A2 (0.55) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL7810676 0.86 HDAC8 (0.55) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL14698741 0.82 HDAC8 (0.74) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL14707050 0.78 HDAC8 (0.70) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL11384662 0.77 SLC6A2 (0.76) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL29460460 0.77 SLC6A2 (0.76) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL29485933 0.77 SLC6A2 (0.76) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL15559678 0.77 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL29485969 0.77 HDAC8 (0.69) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL27089595 0.77 HDAC8 (0.69) HDAC8HDAC6HDAC1HDAC2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis LUBRIZOL CORPORATION, THE 2002-04-18 US claimed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP claimed
EP-0820443-B1 HETEROCYCLIC COMPOUNDS FOR TREATING DIABETES NOVO NORDISK AS (DK) 2001-09-19 EP claimed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO claimed
EP-0820443-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP claimed
WO-1996031481-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed
US-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis LUBRIZOL CORPORATION, THE 2002-04-18 US disclosed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP disclosed
EP-0820443-B1 HETEROCYCLIC COMPOUNDS FOR TREATING DIABETES NOVO NORDISK AS (DK) 2001-09-19 EP disclosed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO disclosed
EP-0820443-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031481-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO 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-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis VEGFA, KDR, FLT4 HDAC8 1128/4885HDAC6 143/4885HDAC1 570/4885

“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.