SCHEMBL6411316

SCHEMBL6411316

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CN(C4CCCCC4)C(=O)O3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.46
HTR1A P08908 4/20 0.43
SLC6A4 P31645 4/20 0.43
CYP2D6 P10635 1/20 0.43
CCR8 P51685 4/20 0.41
HRH1 P35367 2/20 0.35
CCR3 P51677 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
GRM2 Q14416 3/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL6411793 0.90 CCR8 (0.50) HTR2BHTR1ASLC6A4CCR8SIGMAR1
SCHEMBL6418197 0.90 HTR1A (0.49) HTR2BHTR1ASLC6A4CYP2D6CCR8
SCHEMBL6417681 0.89 HTR2B (0.44) HTR2BHTR1ASLC6A4CYP2D6CCR8
SCHEMBL6411951 0.87 HTR1A (0.44) HTR1ASLC6A4CYP2D6CCR8HRH1
SCHEMBL6409832 0.86 HTR2B (0.46) HTR2BHTR1ASLC6A4CYP2D6HRH1
SCHEMBL6414808 0.85 HTR2B (0.49) HTR2BHTR1ASLC6A4CCR8CCR3
SCHEMBL6411226 0.85 HTR1A (0.45) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6411421 0.84 HTR2B (0.48) HTR2BHTR1ASLC6A4CCR8CCR3
SCHEMBL6411835 0.83 HTR1A (0.46) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6418829 0.83 HTR1A (0.42) HTR1ASLC6A4CYP2D6CCR8HRH1

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 HTR2B 6/4885HTR1A 1/4885SLC6A4 2/4885

“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.