SCHEMBL5495043

SCHEMBL5495043

O=C(O)[C@H]1CCCCN1CCCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.48
CHRM1 P11229 6/20 0.47
CHRM2 P08172 5/20 0.47
CHRM3 P20309 4/20 0.47
CHRM4 P08173 3/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
DRD3 P35462 6/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
ADRA1A P35348 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 3/20 0.46
HTR1A P08908 2/20 0.46
DRD1 P21728 2/20 0.46
OPRM1 P35372 2/20 0.46
ADRA2A P08913 1/20 0.46
TBXA2R P21731 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTR2A P28223 3/20 0.46

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 SCHEMBL7166870 0.99 SLC6A1 (0.47) SLC6A1CHRM1CHRM2CHRM3CHRM4
SCHEMBL6956787 0.98 CHRM1 (0.48) SLC6A1CHRM1CHRM2CHRM3CHRM4
Hydrochloric Acid SCHEMBL6964665 0.96 CHRM1 (0.47) SLC6A1CHRM1CHRM2CHRM3CHRM4
SCHEMBL5496059 0.91 DRD4 (0.42) SLC6A1CHRM1CHRM2CHRM3CHRM4
SCHEMBL7607360 0.91 DRD2 (0.47) CHRM1CHRM2CHRM3CHRM4DRD3
SCHEMBL7608631 0.91 DRD4 (0.52) CHRM1CHRM2CHRM3CHRM4DRD3
SCHEMBL5502353 0.89 FPR2 (0.44) SLC6A1CHRM1CHRM2CHRM3CHRM4
SCHEMBL5502259 0.88 CHRM1 (0.48) SLC6A1CHRM1DRD3SMN1; SMN2DRD2
SCHEMBL7167363 0.84 KDM4E (0.51) CHRM1CHRM2GRIN1GRIN2BDRD3
SCHEMBL6963485 0.82 KDM4E (0.51) CHRM1CHRM2CHRM3CHRM4DRD3

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 13 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-6569849-B1 N-Substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2003-05-27 US 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 100/4885CHRM1 460/4885CHRM2 178/4885
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 3399/4885CHRM1 4192/4885CHRM2 3498/4885

“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.