SCHEMBL6414442

SCHEMBL6414442

O=C1OCC(CN2CCC(Cc3cc(F)ccc3Br)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.41
HTR1A P08908 12/20 0.40
SIGMAR1 Q99720 2/20 0.36
CYP2D6 P10635 3/20 0.35
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
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL6411813 0.93 HTR1A (0.43) SLC6A4HTR1ASIGMAR1CYP2D6TSHR
SCHEMBL6411032 0.91 SLC6A4 (0.43) SLC6A4HTR1ASIGMAR1CYP2D6
SCHEMBL6411768 0.91 SIGMAR1 (0.37) SLC6A4SIGMAR1GMNNTP53CYP3A4
SCHEMBL6416475 0.91 SLC6A4 (0.44) SLC6A4HTR1ASIGMAR1
SCHEMBL6416676 0.89 HTR1A (0.51) SLC6A4HTR1ASIGMAR1CCR3
SCHEMBL6413333 0.87 HTR1A (0.40) SLC6A4HTR1ASIGMAR1CYP2D6
SCHEMBL6413646 0.87 HTR1A (0.58) SLC6A4HTR1ASIGMAR1
SCHEMBL6412241 0.86 SIGMAR1 (0.48) SLC6A4HTR1ASIGMAR1
SCHEMBL6410768 0.85 HTR1A (0.52) SLC6A4HTR1ASIGMAR1CYP2D6TP53
SCHEMBL6412828 0.85 HTR1A (0.51) SLC6A4HTR1ASIGMAR1

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 1/4885SIGMAR1 60/4885

“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.