SCHEMBL13200740

SCHEMBL13200740

CN(C)C1CCN(C(=O)CCCN2CCN(c3csc4cc(C(F)(F)F)ccc34)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1A P35348 1/20 0.39
MCHR1 Q99705 3/20 0.39
MC4R P32245 3/20 0.39
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CCR2 P41597 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL13200733 0.90 DRD4 (0.51) DRD4HTR2AADRA1ADRD2DRD3
SCHEMBL13200675 0.88 DRD4 (0.45) DRD4HTR2AADRA1AMC4RDRD2
SCHEMBL13200679 0.87 FPR2 (0.42) DRD4HTR2AADRA1AMC4RDRD2
SCHEMBL13200688 0.87 DRD4 (0.43) DRD4HTR2AADRA1AMC4RPOLB
SCHEMBL13200708 0.85 DRD4 (0.44) DRD4HTR2AADRA1AMC4RDRD2
SCHEMBL13200716 0.85 ADRA1A (0.43) DRD4HTR2AADRA1AMC4RDRD2
SCHEMBL13200706 0.84 MC4R (0.40) DRD4HTR2AADRA1AMC4RDRD2
SCHEMBL13200678 0.83 POLB (0.47) DRD4HTR2AMC4RPOLB
SCHEMBL13200632 0.82 DRD4 (0.44) DRD4HTR2AADRA1AMC4RDRD2
SCHEMBL13200731 0.81 DRD4 (0.44) DRD4HTR2AADRA1A

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 10 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
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 DRD4 9/4885HTR2A 54/4885ADRA1A 532/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C DRD4 8/4885HTR2A 52/4885ADRA1A 593/4885

“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.