SCHEMBL6413644

SCHEMBL6413644

CCOc1ccc(Br)c(CC2CCN(CC3CN(Cc4ccccc4)C(=O)O3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.49
SLC6A4 P31645 15/20 0.49
CYP2D6 P10635 2/20 0.49
GRM2 Q14416 2/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL6416433 0.92 HTR1A (0.52) HTR1ASLC6A4CYP2D6MAOB
SCHEMBL6415187 0.91 HTR1A (0.60) HTR1ASLC6A4
SCHEMBL6418448 0.91 HTR1A (0.50) HTR1ASLC6A4CYP2D6GRM2MAOB
SCHEMBL6411509 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6GRM2
SCHEMBL6418951 0.89 HTR1A (0.50) HTR1ASLC6A4CYP2D6
SCHEMBL6415430 0.88 HTR1A (0.51) HTR1ASLC6A4CYP2D6
SCHEMBL6410918 0.87 HTR1A (0.50) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL6411311 0.87 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL6418424 0.87 HTR1A (0.48) HTR1ASLC6A4CYP2D6GRM2MAOB
SCHEMBL6413891 0.86 SIGMAR1 (0.49) HTR1ASLC6A4CYP2D6GRM2

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.