SCHEMBL6417229

SCHEMBL6417229

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CN(C(C)C)C(=O)S3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
SLC6A4 P31645 7/20 0.43
CYP2D6 P10635 1/20 0.43
FFAR4 Q5NUL3 1/20 0.36
PTGDR Q13258 2/20 0.35
HRH1 P35367 7/20 0.35
CCR3 P51677 7/20 0.35
KCNH2 Q12809 4/20 0.33
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL6411174 0.92 HTR1A (0.52) HTR1ASLC6A4HRH1CCR3KCNH2
SCHEMBL6413917 0.90 HTR1A (0.42) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6417926 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6419334 0.88 HTR1A (0.43) HTR1ASLC6A4CYP2D6FFAR4PTGDR
SCHEMBL6411542 0.88 CCR3 (0.39) HTR1ASLC6A4CCR3
SCHEMBL6418705 0.86 HTR1A (0.44) HTR1ASLC6A4CYP2D6FFAR4PTGDR
SCHEMBL6410453 0.86 HTR1A (0.41) HTR1ASLC6A4CYP2D6FFAR4PTGDR
SCHEMBL6417247 0.86 HTR1A (0.41) HTR1ASLC6A4CYP2D6FFAR4PTGDR
SCHEMBL6417947 0.86 HTR1A (0.46) HTR1ASLC6A4CYP2D6FFAR4PTGDR
SCHEMBL6416736 0.86 CCR3 (0.36) HTR1ASLC6A4HRH1CCR3DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP 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 (1 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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 HTR1A 1/4885SLC6A4 2/4885CYP2D6 323/4885

“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.