SCHEMBL4301030

SCHEMBL4301030

CCOc1ccc(C(=O)NCCCCN2CCN(c3csc4cc(C(F)(F)F)ccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.54
DRD3 P35462 12/20 0.50
DRD2 P14416 10/20 0.50
DRD4 P21917 4/20 0.48
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL13809540 0.94 ADRA1A (0.53) ADRA1ADRD3DRD2DRD4HTR1A
SCHEMBL13809552 0.91 ADRA1A (0.59) ADRA1ADRD3DRD2DRD4HTR1A
SCHEMBL13809533 0.90 ADRA1A (0.66) ADRA1ADRD3DRD2DRD4GLA
SCHEMBL13809560 0.88 ADRA1A (0.55) ADRA1ADRD3DRD2DRD4HTR1A
SCHEMBL13809547 0.88 DRD3 (0.59) ADRA1ADRD3DRD2DRD4HTR1A
SCHEMBL13809543 0.86 DRD3 (0.60) ADRA1ADRD3DRD2DRD4
SCHEMBL13809551 0.85 ADRA1A (0.68) ADRA1ADRD3DRD2DRD4HTR1A
SCHEMBL13809537 0.85 ADRA1A (0.65) ADRA1ADRD3DRD2DRD4HTR1A
SCHEMBL15580928 0.83 ALDH1A1 (0.43) ADRA1ADRD3DRD2DRD4GLA
SCHEMBL13809558 0.83 DRD3 (0.58) ADRA1ADRD3DRD2DRD4HTR1A

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 15 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-2714624-B1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI SA (FR) 2017-12-27 EP disclosed
EP-2714624-B1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI SA (FR) 2017-12-27 EP disclosed
US-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 US disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 US disclosed
WO-2012160015-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2012-11-29 WO 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-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-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

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 ADRA1A 313/4885DRD3 1/4885DRD2 2/4885
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 ADRA1A 332/4885DRD3 1/4885DRD2 2/4885
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS HDHD5, DRD4, DRD2 ADRA1A 158/4885DRD3 6/4885DRD2 3/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 ADRA1A 313/4885DRD3 1/4885DRD2 2/4885

“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.