SCHEMBL6411583

SCHEMBL6411583

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3COC(=O)N(c4ccc(Cl)cc4)C3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.44
HTR1A P08908 4/20 0.44
CYP2D6 P10635 1/20 0.44
PTGDR Q13258 3/20 0.38
SIGMAR1 Q99720 4/20 0.37
HRH1 P35367 3/20 0.37
CCR3 P51677 3/20 0.37
KCNH2 Q12809 2/20 0.37
CNR1 P21554 3/20 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
SCHEMBL6412882 0.94 HTR1A (0.44) SLC6A4HTR1ACYP2D6PTGDRSIGMAR1
SCHEMBL6412925 0.93 HTR1A (0.45) SLC6A4HTR1ACYP2D6PTGDRHRH1
SCHEMBL6417653 0.92 HTR1A (0.53) SLC6A4HTR1ACYP2D6
SCHEMBL6411429 0.91 HTR1A (0.49) SLC6A4HTR1ASIGMAR1CCR3
SCHEMBL6411222 0.89 HTR1A (0.44) SLC6A4HTR1ACYP2D6SIGMAR1CNR1
SCHEMBL6410669 0.87 SLC6A4 (0.41) SLC6A4HTR1ASIGMAR1CCR3CNR1
SCHEMBL6411199 0.87 SIGMAR1 (0.51) SLC6A4HTR1ACYP2D6SIGMAR1
SCHEMBL6420256 0.87 SLC6A4 (0.45) SLC6A4HTR1ASIGMAR1
SCHEMBL6412349 0.87 HTR1A (0.51) SLC6A4HTR1ASIGMAR1CCR3
SCHEMBL6411535 0.86 HTR1A (0.47) SLC6A4HTR1ACYP2D6PTGDRHRH1

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 SLC6A4 2/4885HTR1A 1/4885CYP2D6 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.