SCHEMBL6418005

SCHEMBL6418005

COC(C)Oc1ccc(Br)c(CC2CCN(CCC3CN(c4ccccc4)C(=O)O3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.45
SLC6A4 P31645 8/20 0.45
GRM2 Q14416 12/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6417965 0.94 HTR1A (0.47) HTR1ASLC6A4GRM2CYP2D6
SCHEMBL6410765 0.93 HTR1A (0.46) HTR1ASLC6A4GRM2CYP2D6
SCHEMBL6416559 0.92 HTR1A (0.47) HTR1ASLC6A4GRM2CYP2D6
SCHEMBL6410667 0.92 HTR1A (0.55) HTR1ASLC6A4GRM2
SCHEMBL6409861 0.90 HTR1A (0.51) HTR1ASLC6A4GRM2CYP2D6
SCHEMBL6418007 0.88 HTR1A (0.48) HTR1ASLC6A4GRM2CYP2D6
SCHEMBL6416989 0.88 HTR1A (0.60) HTR1ASLC6A4GRM2
SCHEMBL6415288 0.87 HTR1A (0.48) HTR1ASLC6A4GRM2CYP2D6
SCHEMBL6411248 0.87 HTR1A (0.43) HTR1ASLC6A4CYP2D6
SCHEMBL6410644 0.87 HTR1A (0.53) HTR1ASLC6A4GRM2

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 2/4885GRM2 97/4885

“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.