SCHEMBL6417216

SCHEMBL6417216

CC(C)Oc1ccc(Br)c(CC2CCN(CC3CN(C4CCCCC4)C(=O)S3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.47
HTR1A P08908 19/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL6417533 0.92 HTR1A (0.49) SLC6A4HTR1ACYP2D6
SCHEMBL6410868 0.90 SLC6A4 (0.52) SLC6A4HTR1A
SCHEMBL6410453 0.90 HTR1A (0.41) SLC6A4HTR1ACYP2D6
SCHEMBL6411280 0.89 HTR1A (0.46) SLC6A4HTR1ACYP2D6
SCHEMBL6417926 0.86 HTR1A (0.49) SLC6A4HTR1ACYP2D6
SCHEMBL6412240 0.85 HTR1A (0.49) SLC6A4HTR1ACYP2D6
SCHEMBL6412803 0.84 SLC6A4 (0.41) SLC6A4HTR1A
SCHEMBL6414992 0.84 HTR1A (0.40) SLC6A4HTR1A
SCHEMBL6412178 0.83 HTR1A (0.47) SLC6A4HTR1ACYP2D6
SCHEMBL6420491 0.83 HTR1A (0.49) SLC6A4HTR1ACYP2D6

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.