SCHEMBL7603769

SCHEMBL7603769

O=C(O)CCNCCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.58
HTR2A P28223 3/20 0.58
CYP3A4 P08684 2/20 0.58
SLC22A2 O15244 2/20 0.58
SLC22A1 O15245 2/20 0.58
SLC22A3 O75751 2/20 0.58
CHRM2 P08172 2/20 0.58
CYP2D6 P10635 2/20 0.58
CHRM1 P11229 2/20 0.58
DRD2 P14416 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
CHRM3 P20309 2/20 0.58
HTR2C P28335 2/20 0.58
SLC6A4 P31645 2/20 0.58
ADRA1A P35348 2/20 0.58
HRH1 P35367 2/20 0.58
DRD3 P35462 2/20 0.58
SCN1A P35498 2/20 0.58
OPRK1 P41145 2/20 0.58

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
Hydrochloric Acid SCHEMBL7810034 0.99 SLC6A2 (0.59) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
SCHEMBL8025555 0.85 HTR2A (0.60) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
SCHEMBL7813757 0.82 SLC6A4 (0.54) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
SCHEMBL6419291 0.82 MEN1 (0.66) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
Hydrochloric Acid SCHEMBL7813755 0.81 CYP3A4 (0.55) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
Desipramine SCHEMBL9485122 0.81 SLC6A2 (0.71) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
SCHEMBL13808474 0.80 SLC6A4 (0.69) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
SCHEMBL4733904 0.80 SLC6A4 (0.65) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
SCHEMBL9490684 0.80 SLC6A2 (0.57) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1
SCHEMBL22747970 0.79 CYP3A4 (0.53) SLC6A2HTR2ACYP3A4SLC22A2SLC22A1

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 SLC6A2 2401/4885HTR2A 1379/4885CYP3A4 1482/4885

“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.