SCHEMBL6414402

SCHEMBL6414402

O=C1SC(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.43
HTR1A P08908 13/20 0.43
SLC6A2 P23975 4/20 0.41
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 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
SCHEMBL6412778 0.94 SLC6A4 (0.46) SLC6A4HTR1ASLC6A2DRD2DRD3
SCHEMBL6412761 0.91 SLC6A4 (0.40) SLC6A4HTR1ASLC6A2
SCHEMBL6414623 0.89 SLC6A4 (0.43) SLC6A4HTR1A
SCHEMBL6410843 0.89 HTR1A (0.54) SLC6A4HTR1A
SCHEMBL6418642 0.87 SLC6A4 (0.44) SLC6A4HTR1ADRD2HTR2AHTR7
SCHEMBL6417013 0.86 HTR1A (0.60) SLC6A4HTR1A
SCHEMBL6420037 0.86 SLC6A4 (0.47) SLC6A4HTR1ASLC6A2
SCHEMBL6411402 0.85 HTR1A (0.49) SLC6A4HTR1A
SCHEMBL6416387 0.85 HTR1A (0.61) SLC6A4HTR1A
SCHEMBL6417425 0.85 HTR1A (0.43) 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 1/4885SLC6A2 3/4885

“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.