SCHEMBL6410283

SCHEMBL6410283

O=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.39
SLC6A4 P31645 14/20 0.39
CYP2D6 P10635 4/20 0.35
CCR8 P51685 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
TSHR P16473 1/20 0.33
HTR2B P41595 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KCNH2 Q12809 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
SCHEMBL6417837 0.91 HTR1A (0.42) HTR1ASLC6A4CYP2D6KCNH2
SCHEMBL6411971 0.90 SLC6A4 (0.40) HTR1ASLC6A4CCR8OPRM1OPRD1
SCHEMBL6411294 0.89 SLC6A4 (0.42) HTR1ASLC6A4CCR8OPRM1OPRK1
SCHEMBL6415359 0.86 SLC6A4 (0.51) HTR1ASLC6A4CCR8
SCHEMBL6418701 0.86 HTR2B (0.48) HTR1ASLC6A4CYP2D6CCR8OPRM1
SCHEMBL6412593 0.85 HTR1A (0.49) HTR1ASLC6A4CYP2D6CCR8
SCHEMBL6412692 0.84 SLC6A4 (0.50) HTR1ASLC6A4CYP2D6CCR8
SCHEMBL6418299 0.83 HTR1A (0.41) HTR1ASLC6A4CYP2D6NOS3NOS1
SCHEMBL6411813 0.83 HTR1A (0.43) HTR1ASLC6A4CYP2D6TSHR
SCHEMBL6416368 0.82 HTR1A (0.42) HTR1ASLC6A4CYP2D6NOS3NOS1

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 HTR1A 1/4885SLC6A4 2/4885CYP2D6 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.