SCHEMBL6411226

SCHEMBL6411226

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CN(CC4CC4)C(=O)O3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.45
SLC6A4 P31645 4/20 0.45
CYP2D6 P10635 1/20 0.45
HRH1 P35367 8/20 0.38
CCR3 P51677 8/20 0.38
SIGMAR1 Q99720 2/20 0.36
KCNH2 Q12809 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
PTGDR Q13258 1/20 0.35
GRM2 Q14416 3/20 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
SCHEMBL6411835 0.91 HTR1A (0.46) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6412827 0.90 HTR1A (0.52) HTR1ASLC6A4CCR3SIGMAR1
SCHEMBL6411207 0.90 HTR1A (0.49) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6410532 0.89 HTR1A (0.51) HTR1ASLC6A4CYP2D6
SCHEMBL6414497 0.88 HTR1A (0.44) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6409832 0.88 HTR2B (0.46) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6418875 0.86 HTR1A (0.46) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6411733 0.85 GRM2 (0.47) HTR1ASLC6A4CYP2D6SIGMAR1GRM2
SCHEMBL6411199 0.85 SIGMAR1 (0.51) HTR1ASLC6A4CYP2D6SIGMAR1GRM2
SCHEMBL6411316 0.85 HTR2B (0.46) HTR1ASLC6A4CYP2D6HRH1CCR3

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.