SCHEMBL5878747

SCHEMBL5878747

CNCc1cnc(C)cc1Oc1ccc2c(c1)OCCS2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.54
SLC6A2 P23975 14/20 0.54
SLC6A3 Q01959 10/20 0.54
KCNH2 Q12809 4/20 0.54
CYP2D6 P10635 1/20 0.54
HTR2A P28223 4/20 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
Formic Acid SCHEMBL6000544 0.75 SLC6A4 (0.54) SLC6A4KCNH2HTR2A
SCHEMBL5879027 0.71 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL5878888 0.70 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Formic Acid SCHEMBL6000196 0.68 SLC6A4 (0.53) SLC6A4KCNH2HTR2A
SCHEMBL7207143 0.68 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL13177969 0.67 CTNNB1 (0.35)
SCHEMBL5878721 0.67 SLC6A4 (0.72) SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL7211553 0.66 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL7206568 0.65 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL7207152 0.63 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US claimed
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP claimed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP claimed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US claimed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US claimed
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.