SCHEMBL6328424

SCHEMBL6328424

CCC(CCN(C)C(=O)O)Oc1cc(Cl)c(F)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.53
CYP2D6 P10635 7/20 0.53
SLC6A2 P23975 7/20 0.53
SLC6A4 P31645 7/20 0.53
BCL2A1 Q16548 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.38
TRPV4 Q9HBA0 2/20 0.34
SCN9A Q15858 1/20 0.32
EGFR P00533 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL6330488 0.93 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
Oxalic Acid SCHEMBL6337687 0.92 NOS2 (0.55) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6327847 0.87 NOS2 (0.49) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6337815 0.85 NOS2 (0.61) NOS2CYP2D6SLC6A2SLC6A4MRGPRX4
SCHEMBL6328415 0.84 CYP2D6 (0.52) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6330654 0.83 NOS2 (0.53) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6328357 0.81 CYP2D6 (0.48) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6328431 0.80 NOS2 (0.49) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
Oxalic Acid SCHEMBL6337578 0.79 CYP2D6 (0.53) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6329018 0.78 SLC6A4 (0.70) NOS2CYP2D6SLC6A2SLC6A4BCL2A1

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.