SCHEMBL4299920

SCHEMBL4299920

NCCCCN1CCCN(c2csc3cc(F)ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.57
DRD4 P21917 2/20 0.57
ADRA1A P35348 1/20 0.54
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.46
MAPT P10636 2/20 0.44
ADRA1B P35368 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
SCHEMBL4438394 0.99 HTR2A (0.56) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL7815509 0.95 HTR2A (0.61) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL4299917 0.86 ADRA1A (0.56) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL13809584 0.86 HTR2A (0.55) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL4445780 0.85 HTR2A (0.53) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL8651520 0.82 HTR2A (0.59) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL4307891 0.81 DRD4 (0.46) HTR2ADRD4ADRA1ADRD2MAPT
SCHEMBL7823924 0.81 HTR2A (0.58) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL4310830 0.80 DRD4 (0.46) HTR2ADRD4ADRA1ADRD2MAPT
Hydrochloric Acid SCHEMBL4307355 0.80 DRD4 (0.46) HTR2ADRD4ADRA1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2005-05-19 US claimed
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US claimed
EP-1361875-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2003-11-19 EP claimed
WO-2002066469-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO claimed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
EP-1392676-B1 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2006-12-13 EP disclosed
EP-1688412-A2 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2006-08-09 EP disclosed
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2005-05-19 US disclosed
EP-1392676-A2 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US disclosed
US-20030229066-A1 Novel heterocyclic urea derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. 2003-12-11 US disclosed
EP-1361875-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2003-11-19 EP disclosed
WO-2002066468-A2 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed
WO-2002066469-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 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 (4 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTR2A 46/4885DRD4 13/4885ADRA1A 313/4885
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTR2A 47/4885DRD4 10/4885ADRA1A 332/4885
US-20030229066-A1 Novel heterocyclic urea derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTR2A 55/4885DRD4 10/4885ADRA1A 476/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTR2A 46/4885DRD4 13/4885ADRA1A 313/4885

“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.