SCHEMBL6417878

SCHEMBL6417878

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CCN(c4ccccc4)C(=O)N3C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
SLC6A4 P31645 6/20 0.48
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 8/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HRH1 P35367 10/20 0.39
CCR3 P51677 10/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR Q13258 1/20 0.37
FFAR4 Q5NUL3 1/20 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
SCHEMBL6415175 0.94 HTR1A (0.48) HTR1ASLC6A4CYP2D6KCNH2DRD2
SCHEMBL6411217 0.91 HTR1A (0.60) HTR1ASLC6A4KCNH2HRH1CCR3
SCHEMBL6414080 0.90 HTR1A (0.49) HTR1ASLC6A4CYP2D6KCNH2DRD2
SCHEMBL6411386 0.90 HTR1A (0.48) HTR1ASLC6A4CYP2D6KCNH2HRH1
SCHEMBL6617633 0.88 HTR1A (0.47) HTR1ASLC6A4CYP2D6KCNH2DRD2
SCHEMBL6420020 0.87 SLC6A4 (0.44) HTR1ASLC6A4KCNH2DRD2DRD3
SCHEMBL6412592 0.87 HTR1A (0.52) HTR1ASLC6A4CYP2D6KCNH2HRH1
SCHEMBL6417442 0.85 HTR1A (0.43) HTR1ASLC6A4KCNH2DRD2DRD3
SCHEMBL6416250 0.84 HTR1A (0.52) HTR1ASLC6A4CYP2D6KCNH2HRH1
SCHEMBL6416756 0.84 HTR1A (0.46) HTR1ASLC6A4CYP2D6KCNH2DRD2

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.