SCHEMBL6409743

SCHEMBL6409743

O=C1SC(CN2CCC(Cc3cc(F)ccc3Br)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.41
HTR1A P08908 12/20 0.41
GRIN1 Q05586 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH1 P35367 1/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL6417425 0.92 HTR1A (0.43) SLC6A4HTR1ATSHR
SCHEMBL6418642 0.91 SLC6A4 (0.44) SLC6A4HTR1ADRD2HTR2AHTR2C
SCHEMBL6415371 0.91 SLC6A4 (0.41) SLC6A4HTR1ACCR3
SCHEMBL6415056 0.91 GRIN1 (0.35) SLC6A4HTR1AGRIN1GMNNTP53
SCHEMBL6416509 0.88 HTR1A (0.52) SLC6A4HTR1ACCR3
SCHEMBL6412761 0.87 SLC6A4 (0.40) SLC6A4HTR1A
SCHEMBL6412165 0.86 HTR1A (0.58) SLC6A4HTR1A
SCHEMBL6414313 0.85 HTR1A (0.49) SLC6A4HTR1ATP53
SCHEMBL6413135 0.85 HTR1A (0.52) SLC6A4HTR1A
SCHEMBL6413889 0.84 HTR1A (0.49) SLC6A4HTR1A

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 1/4885GRIN1 56/4885

“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.