SCHEMBL6077823

SCHEMBL6077823

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
NOS2 P35228 2/20 0.44
TRPV1 Q8NER1 2/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GBA1 P04062 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL6078732 0.88 SLC6A4 (0.45) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6078728 0.88 SLC6A4 (0.45) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6077828 0.81 SLC6A4 (0.47) SLC6A4NOS2TRPV1GPR119PGR
SCHEMBL2529368 0.79 SLC6A4 (0.54) SLC6A4NOS2TRPV1GPR119AAK1
SCHEMBL6082710 0.79 SLC6A4 (0.46) SLC6A4NOS2GPR119AAK1PGR
SCHEMBL6079148 0.77 SLC6A4 (0.34) SLC6A4NOS2CACNA1GCACNA1BCACNA1C
SCHEMBL6077819 0.76 SLC6A4 (0.47) SLC6A4NOS2TRPV1GPR119PGR
SCHEMBL6078861 0.75 SLC6A4 (0.52) SLC6A4NOS2TRPV1CACNA1CGPR119
Hydrochloric Acid SCHEMBL6079500 0.74 SLC6A4 (0.53) SLC6A4NOS2TRPV1CACNA1CGPR119
SCHEMBL2532516 0.74 SLC6A4 (0.55) SLC6A4NOS2TRPV1GPR119AAK1

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 2/4885TRPV1 2626/4885

“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.