SCHEMBL6330495

SCHEMBL6330495

CCCC(CCCNC(=O)O)Oc1cc(Cl)c(F)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.48
CYP2D6 P10635 8/20 0.48
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
BCL2A1 Q16548 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.37
KCNH2 Q12809 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 2/20 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
SCHEMBL6328431 0.93 NOS2 (0.49) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6330637 0.85 NOS2 (0.56) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6328421 0.82 CYP2D6 (0.49) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6330659 0.82 NOS2 (0.51) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6329422 0.82 SLC6A4 (0.59) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6337105 0.81 NOS2 (0.56) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL6331922 0.81 SLC6A4 (0.60) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6330488 0.80 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6328362 0.80 CYP2D6 (0.47) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6337819 0.78 NOS2 (0.67) NOS2CYP2D6SLC6A2SLC6A4KCNH2

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-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 US disclosed
EP-1263715-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062714-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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 (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-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 NOS2 2/4885CYP2D6 59/4885SLC6A2 2434/4885

“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.