SCHEMBL6414874

SCHEMBL6414874

O=C1OC(CN2CCC(Cc3cc(F)ccc3Br)CC2)CN1CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.42
HTR1A P08908 9/20 0.42
SIGMAR1 Q99720 3/20 0.36
HTR2B P41595 3/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
CCR3 P51677 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL6418078 0.91 SLC6A4 (0.44) SLC6A4HTR1A
SCHEMBL6419379 0.89 SLC6A4 (0.44) SLC6A4HTR1A
SCHEMBL6411382 0.88 HTR1A (0.42) SLC6A4HTR1ASIGMAR1
SCHEMBL6417310 0.88 CCR3 (0.37) SLC6A4HTR1ASIGMAR1HTR2BDRD2
SCHEMBL6410119 0.88 ATM (0.43) SLC6A4HTR1ASIGMAR1HTR2ACCR3
SCHEMBL6435066 0.86 SLC6A4 (0.42) SLC6A4HTR1ASIGMAR1HTR2BDRD2
SCHEMBL6417237 0.85 SLC6A4 (0.54) SLC6A4HTR1ASIGMAR1
SCHEMBL6413131 0.84 HTR2B (0.48) SLC6A4HTR1ASIGMAR1HTR2B
SCHEMBL6418951 0.84 HTR1A (0.50) SLC6A4HTR1ASIGMAR1
SCHEMBL6416588 0.83 SIGMAR1 (0.47) 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.