SCHEMBL6078732

SCHEMBL6078732

CN(CCC(Oc1nc(C(F)(F)F)ccc1C#N)C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
NOS2 P35228 2/20 0.45
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
AR P10275 2/20 0.32
PGR P06401 1/20 0.32
PDK2 Q15119 1/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL6078728 1.00 SLC6A4 (0.45) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6082710 0.91 SLC6A4 (0.46) SLC6A4NOS2GPR119AAK1AR
SCHEMBL6079148 0.89 SLC6A4 (0.34) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6077823 0.88 SLC6A4 (0.44) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6079371 0.82 LMNA (0.36) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6079361 0.82 LMNA (0.36) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6079296 0.82 SLC6A4 (0.46) SLC6A4NOS2GPR119AAK1AR
SCHEMBL6079017 0.80 CACNA1G (0.31) CACNA1GCACNA1BCACNA1CPDK2
SCHEMBL6079011 0.80 CACNA1G (0.31) CACNA1GCACNA1BCACNA1CPDK2
SCHEMBL6078288 0.76 NOS2 (0.65) SLC6A4NOS2GPR119AAK1AR

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-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 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 (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-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS2, NOS1 SLC6A4 1543/4885NOS2 2/4885CACNA1G 893/4885

“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.