SCHEMBL13201263

SCHEMBL13201263

C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CN2CCC(c3cc4ccccc4s3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
DRD2 P14416 1/20 0.49
HRH3 Q9Y5N1 1/20 0.40
MFN2 O95140 1/20 0.39
ALOX5 P09917 1/20 0.39
CNR1 P21554 6/20 0.38
CNR2 P34972 6/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
HTR1A P08908 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LCK P06239 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
SCHEMBL5016897 0.84 SLC6A4 (0.47) SLC6A4DRD2HRH3ALOX5CNR1
SCHEMBL13888292 0.74 SIGMAR1 (0.39) DRD2HRH3MFN2SIGMAR1
SCHEMBL13868719 0.72 DRD2 (0.43) DRD2RAB9ANPC1SMN1; SMN2
SCHEMBL2961728 0.72 DRD2 (0.56) DRD2HTR1A
SCHEMBL2961726 0.72 DRD2 (0.56) DRD2HTR1A
SCHEMBL13200799 0.72 DRD2 (0.56) DRD2HTR1A
SCHEMBL13868776 0.70 TLR7 (0.39) DRD2
SCHEMBL13201136 0.70 TLR7 (0.39) DRD2
SCHEMBL14048518 0.70 MFN2 (0.37) MFN2RAB9ANPC1SIGMAR1
SCHEMBL11877556 0.69 SLC6A4 (0.70) SLC6A4DRD2HRH3ALOX5SIGMAR1

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 8 patents. 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-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-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 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 (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-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C SLC6A4 444/4885DRD2 2/4885HRH3 72/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C SLC6A4 389/4885DRD2 2/4885HRH3 59/4885

“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.