SCHEMBL5494740

SCHEMBL5494740

O=C(O)C1CCN(CCCCN2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.60
DRD2 P14416 9/20 0.58
DRD4 P21917 9/20 0.58
DRD3 P35462 9/20 0.58
CHRM1 P11229 8/20 0.58
CHRM2 P08172 7/20 0.58
CHRM4 P08173 7/20 0.58
CHRM5 P08912 7/20 0.58
CHRM3 P20309 7/20 0.58
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HTR7 P34969 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53

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 SCHEMBL7166172 0.99 SLC6A1 (0.58) SLC6A1DRD2DRD4DRD3CHRM1
SCHEMBL5500223 0.97 CHRM1 (0.61) SLC6A1DRD2DRD4DRD3CHRM1
Hydrochloric Acid SCHEMBL6962296 0.96 CHRM1 (0.60) SLC6A1DRD2DRD4DRD3CHRM1
SCHEMBL5495263 0.90 DRD2 (0.55) SLC6A1DRD2DRD4DRD3CHRM1
Hydrochloric Acid SCHEMBL7167859 0.89 MEN1 (0.55) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5494495 0.88 DRD2 (0.57) DRD2DRD4DRD3CHRM1CHRM2
Hydrochloric Acid SCHEMBL6963930 0.87 DRD2 (0.56) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL7605625 0.85 SLC6A1 (0.81) SLC6A1
SCHEMBL5501217 0.85 DRD2 (0.51) SLC6A1DRD2DRD4DRD3CHRM1
Hydrochloric Acid SCHEMBL8187342 0.84 SLC6A1 (0.80) SLC6A1

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-6569849-B1 N-Substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2003-05-27 US 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 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
JP-2001501629-A 2001-02-06 JP 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-0934306-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP claimed
WO-1998015546-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO claimed
US-20070066570-A1 Methods for treating sleep disorders HYPNION, INC. 2007-03-22 US disclosed
WO-2004112705-A2 METHODS FOR TREATING SLEEP DISORDERS HYPNION, INC. (US) 2004-12-29 WO disclosed
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
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

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-20070066570-A1 Methods for treating sleep disorders HCRTR2, HNMT, HCRTR1 SLC6A1 100/4885DRD2 366/4885DRD4 594/4885
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 SLC6A1 3399/4885DRD2 2668/4885DRD4 3443/4885

“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.