SCHEMBL6417429

SCHEMBL6417429

CCOc1ccc(Cl)c(CC2CCN(CC3CN(CC4CC4)C(=O)S3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
SLC6A4 P31645 5/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 2/20 0.36
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 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
SCHEMBL6410457 0.92 HTR1A (0.43) HTR1ASLC6A4CYP2D6THRBALDH1A1
SCHEMBL6410448 0.91 HTR1A (0.52) HTR1ASLC6A4CCR3
SCHEMBL6418553 0.89 HTR1A (0.50) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6412886 0.89 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6419334 0.88 HTR1A (0.43) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6413917 0.86 HTR1A (0.42) HTR1ASLC6A4CYP2D6THRBHRH1
SCHEMBL6413041 0.85 MEN1 (0.39) HTR1ASLC6A4CCR3MAPT
SCHEMBL6416461 0.85 HTR1A (0.46) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6411958 0.85 HTR1A (0.41) HTR1ASLC6A4CYP2D6ALDH1A1MAPT
SCHEMBL6415004 0.85 HTR1A (0.41) HTR1ASLC6A4CYP2D6THRBALDH1A1

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.