SCHEMBL6412778

SCHEMBL6412778

O=C1SC(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.46
HTR1A P08908 16/20 0.46
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SLC6A2 P23975 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 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
SCHEMBL6414402 0.94 SLC6A4 (0.43) SLC6A4HTR1ASLC6A2DRD2DRD3
SCHEMBL6418642 0.93 SLC6A4 (0.44) SLC6A4HTR1ADRD2DRD3KCNH2
SCHEMBL6410843 0.92 HTR1A (0.54) SLC6A4HTR1ACYP2D6
SCHEMBL6416387 0.90 HTR1A (0.61) SLC6A4HTR1ACYP2D6
SCHEMBL6417425 0.90 HTR1A (0.43) SLC6A4HTR1ACYP2D6TSHRMAPK1
SCHEMBL6412585 0.89 HTR1A (0.51) SLC6A4HTR1ACYP2D6
SCHEMBL6417481 0.88 HTR1A (0.52) SLC6A4HTR1ACYP2D6
SCHEMBL6420145 0.85 HTR1A (0.44) SLC6A4HTR1ACYP2D6NOS3NOS1
SCHEMBL6412761 0.85 SLC6A4 (0.40) SLC6A4HTR1AHTTSLC6A2
SCHEMBL6412743 0.84 HTR1A (0.59) 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 1/4885CYP2D6 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.