SCHEMBL2957085

SCHEMBL2957085

COC(=O)c1sc2c(C(F)(F)F)cccc2c1C1CCN(C(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 9/20 0.46
SLC9A1 P19634 2/20 0.40
ADRA1D P25100 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2A P28223 1/20 0.40
SLC9A2 Q9UBY0 1/20 0.40
CTSS P25774 1/20 0.38
EPHX2 P34913 1/20 0.37
CHRNA7 P36544 4/20 0.37
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CREBBP Q92793 1/20 0.37
SOS1 Q07889 1/20 0.37
HTR3A P46098 1/20 0.36

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
SCHEMBL2956013 0.89 RBP4 (0.43) RBP4SLC9A1ADRA1DSLC6A3HTR2A
SCHEMBL2955751 0.84 HTR2C (0.40) RBP4SLC6A3EPHX2CHRNA7POLB
SCHEMBL2968839 0.76 SLC9A1 (0.49) RBP4SLC9A1ADRA1DSLC6A3HTR2A
SCHEMBL4767198 0.74 CTSS (0.53) CTSSALDH1A1
SCHEMBL29160847 0.73 KDM4E (0.56) KDM4EALDH1A1
SCHEMBL1763555 0.70 SLC9A1 (0.67) RBP4SLC9A1ADRA1DSLC6A3HTR2A
SCHEMBL2952993 0.69 CTSS (0.48) RBP4CTSSCHRNA7ALDH1A1
SCHEMBL13523806 0.69 SLC9A1 (0.46) RBP4SLC9A1ADRA1DSLC6A3HTR2A
SCHEMBL25218964 0.69 RBP4 (0.74) RBP4SLC9A1ADRA1DSLC6A3HTR2A
SCHEMBL15700120 0.65 KMT2A (0.42) RBP4KDM4EALDH1A1CREBBP

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
EP-1935887-B1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA INC (US) 2010-01-13 EP disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 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-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US 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-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 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
EP-1362039-A1 HETEROCYCLIC SUBSTITUTED CARBONYL 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
WO-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL 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 (5 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-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 RBP4 2255/4885SLC9A1 4465/4885ADRA1D 105/4885
US-20030229066-A1 Novel heterocyclic urea derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 RBP4 1801/4885SLC9A1 4629/4885ADRA1D 131/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 RBP4 2279/4885SLC9A1 4473/4885ADRA1D 142/4885
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 RBP4 1886/4885SLC9A1 4547/4885ADRA1D 150/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C RBP4 1529/4885SLC9A1 4639/4885ADRA1D 216/4885

“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.