SCHEMBL6417631

SCHEMBL6417631

COc1ccc(Cl)c(CC2CCN(CC3CN(C4CCCCC4)C(=O)S3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.50
SLC6A4 P31645 15/20 0.50
CCR8 P51685 1/20 0.41
CCR3 P51677 1/20 0.38
CCR5 P51681 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 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
SCHEMBL6415004 0.91 HTR1A (0.41) HTR1ASLC6A4CCR8ACHEHTR4
SCHEMBL6410453 0.90 HTR1A (0.41) HTR1ASLC6A4CCR8CCR3ACHE
SCHEMBL6410868 0.89 SLC6A4 (0.52) HTR1ASLC6A4CCR8
SCHEMBL6413804 0.88 SLC6A4 (0.39) HTR1ASLC6A4CCR3MEN1POLB
SCHEMBL6410927 0.86 RAB9A (0.37) HTR1ASLC6A4CCR3CCR5ACHE
SCHEMBL6410448 0.84 HTR1A (0.52) HTR1ASLC6A4CCR3CCR5
SCHEMBL6415069 0.83 HTR1A (0.52) HTR1ASLC6A4CCR3CCR5
SCHEMBL6411174 0.83 HTR1A (0.52) HTR1ASLC6A4CCR3CCR5MEN1
SCHEMBL6413153 0.83 HTR1A (0.53) HTR1ASLC6A4CCR3CCR5
SCHEMBL6418232 0.83 HTR1A (0.51) HTR1ASLC6A4CCR8CCR3CCR5

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 2/4885CCR8 4183/4885

“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.