SCHEMBL4456337

SCHEMBL4456337

C=CC[Sn](CC=C)(CC=C)C(N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN4A P35499 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HTR2A P28223 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HRH1 P35367 1/20 0.34
OPRD1 P41143 1/20 0.33

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
SCHEMBL4629946 0.68 CYP2C19 (0.57) DPP4F2CYP2C19SCN4ATAAR1
SCHEMBL898390 0.68 CYP2C19 (0.57) DPP4F2CYP2C19SCN4ATAAR1
SCHEMBL7406881 0.68 CYP2C19 (0.57) DPP4F2CYP2C19SCN4ATAAR1
Hydrochloric Acid SCHEMBL25188226 0.67 CYP2C19 (0.55) DPP4F2CYP2C19SCN4ATAAR1
Hydrochloric Acid SCHEMBL250191 0.67 CYP2C19 (0.55) DPP4F2CYP2C19SCN4ATAAR1
Hydrochloric Acid SCHEMBL31471464 0.67 CYP2C19 (0.55) DPP4F2CYP2C19SCN4ATAAR1
SCHEMBL8050506 0.65 CYP2C19 (0.44) DPP4F2CYP2C19SCN4ATAAR1
SCHEMBL1678152 0.65 DPP4 (0.52) DPP4F2CYP2C19TAAR1HTR2A
SCHEMBL8067055 0.65 CYP2C19 (0.44) DPP4F2CYP2C19SCN4ATAAR1
SCHEMBL4785073 0.65 CYP2C19 (0.44) DPP4F2CYP2C19SCN4ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562640-B1 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS UNIV MCMASTER (CA) 2012-12-05 EP disclosed
US-20090005545-A1 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS MCMASTER UNIVERSITY 2009-01-01 US disclosed
US-7335347-B2 Methods for purifying radiolabelled compounds MCMASTER UNIVERSITY (CA) 2008-02-26 US disclosed
EP-1562640-A2 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS Molecular Insight Pharmaceuticals, Inc. (US) 2005-08-17 EP disclosed
US-20040260073-A1 Methods for purifying radiolabelled compounds MCMASTER UNIVERSITY (CA) 2004-12-23 US disclosed
WO-2004035744-A2 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS BIOSTREAM, INC. (US) 2004-04-29 WO 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-20040260073-A1 Methods for purifying radiolabelled compounds PAICS, PFAS, NPEPPS DPP4 1409/4885F2 2484/4885CYP2C19 1603/4885
US-20090005545-A1 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS PAICS, PFAS, NPEPPS DPP4 1409/4885F2 2484/4885CYP2C19 1603/4885

“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.