SCHEMBL4299917

SCHEMBL4299917

NC(=O)CCCN1CCCN(c2csc3cc(F)ccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.56
HTR2A P28223 6/20 0.55
DRD4 P21917 5/20 0.55
MAPT P10636 2/20 0.44
HTR1A P08908 4/20 0.44
DRD2 P14416 4/20 0.44
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTR2C P28335 3/20 0.44
DRD3 P35462 3/20 0.44
SLC6A4 P31645 2/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR7 P34969 1/20 0.42

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
SCHEMBL4299920 0.86 HTR2A (0.57) ADRA1AHTR2ADRD4MAPTHTR1A
SCHEMBL13200718 0.85 ADRA1A (0.56) ADRA1AHTR2ADRD4MAPTHTR1A
SCHEMBL4438394 0.85 HTR2A (0.56) ADRA1AHTR2ADRD4MAPTHTR1A
SCHEMBL4307887 0.82 ADRA1A (0.46) ADRA1AHTR2ADRD4MAPTDRD2
SCHEMBL4445780 0.82 HTR2A (0.53) ADRA1AHTR2ADRD4MAPTHTR1A
SCHEMBL13200717 0.81 ADRA1A (0.54) ADRA1AHTR2ADRD4MAPTHTR1A
Hydrochloric Acid SCHEMBL4307352 0.81 ADRA1A (0.45) ADRA1AHTR2ADRD4MAPTDRD2
SCHEMBL13809584 0.81 HTR2A (0.55) ADRA1AHTR2ADRD4MAPTHTR1A
SCHEMBL7815509 0.81 HTR2A (0.61) ADRA1AHTR2ADRD4MAPTHTR1A
SCHEMBL13200621 0.81 ADRA1A (0.53) ADRA1AHTR2ADRD4MAPTDRD2

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 11 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US 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
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
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-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 (3 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 ADRA1A 313/4885HTR2A 46/4885DRD4 13/4885
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 ADRA1A 332/4885HTR2A 47/4885DRD4 10/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 ADRA1A 313/4885HTR2A 46/4885DRD4 13/4885

“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.