SCHEMBL5878837

SCHEMBL5878837

CN(C)Cc1cnccc1Oc1ccc2c(c1)SCC2

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.83
SLC6A2 P23975 9/20 0.47
SLC6A3 Q01959 8/20 0.47
HTR2A P28223 5/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL5878711 0.91 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL5878721 0.75 SLC6A4 (0.72) SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL7207929 0.74 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7207921 0.74 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7207176 0.74 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7207167 0.72 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL5878703 0.71 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL5878517 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL5878577 0.70 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL5878679 0.70 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3HTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US disclosed
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US 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 (2 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-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI SLC6A4 3835/4885SLC6A2 4120/4885SLC6A3 3857/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI SLC6A4 3835/4885SLC6A2 4120/4885SLC6A3 3857/4885

“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.