SCHEMBL6412598

SCHEMBL6412598

CC(C)Oc1ccc(Br)c(CC2CCN(CC3CC(=O)Nc4ccccc43)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.47
SLC6A4 P31645 17/20 0.47
CYP2D6 P10635 1/20 0.47
GLA P06280 1/20 0.39
CCR8 P51685 1/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6415377 0.92 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6410154 0.90 HTR1A (0.44) HTR1ASLC6A4CYP2D6GLACCR8
SCHEMBL6414448 0.90 SLC6A4 (0.55) HTR1ASLC6A4
SCHEMBL6410371 0.89 HTR1A (0.46) HTR1ASLC6A4CYP2D6
SCHEMBL6412570 0.86 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6416390 0.86 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6420151 0.85 HTR1A (0.51) HTR1ASLC6A4CCR8
SCHEMBL6413061 0.85 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6410615 0.84 HTR1A (0.47) HTR1ASLC6A4CYP2D6GLA
SCHEMBL6411685 0.84 SLC6A4 (0.40) HTR1ASLC6A4GLA

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.