SCHEMBL13201260

SCHEMBL13201260

O=C(NCCCn1ccnc1)[C@@H]1C[C@H]1CN1CCC(c2noc3ccsc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FPR3 P25089 3/20 0.41
FPR2 P25090 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
ADRB2 P07550 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5025688 0.85 LMNA (0.43) LMNARAB9ANPC1KDM4ENFKB1
SCHEMBL13201225 0.85 FPR3 (0.42) LMNANPC1FPR3FPR2SMN1; SMN2
SCHEMBL13201174 0.82 KCNH2 (0.43)
SCHEMBL13201242 0.81 FPR3 (0.40) LMNANPC1FPR3FPR2SMN1; SMN2
SCHEMBL13200902 0.78 HTR2C (0.40)
SCHEMBL13888191 0.78 HTR2C (0.40)
SCHEMBL14468576 0.77 HTR2C (0.39)
SCHEMBL14446785 0.77 HTR2C (0.39)
SCHEMBL2958872 0.77 HTR2C (0.40)
SCHEMBL13200904 0.77 HTR2C (0.40)

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-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-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP 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-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 LMNA 3938/4885RAB9A 1238/4885NPC1 2131/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C LMNA 4087/4885RAB9A 1188/4885NPC1 2398/4885

“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.