SCHEMBL6329879

SCHEMBL6329879

N#Cc1ccc(Cl)cc1OC(CCCNC(=O)O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.46
CYP2D6 P10635 8/20 0.46
SLC6A2 P23975 8/20 0.46
SLC6A4 P31645 8/20 0.46
KCNH2 Q12809 2/20 0.45
EPHX2 P34913 1/20 0.36
AKR1B1 P15121 1/20 0.36
F11 P03951 2/20 0.36

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
SCHEMBL6335103 0.86 NOS2 (0.42) NOS2CYP2D6SLC6A2SLC6A4
SCHEMBL6328362 0.83 CYP2D6 (0.47) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6337819 0.81 NOS2 (0.67) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6328345 0.80 NOS2 (0.65) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6337105 0.80 NOS2 (0.56) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6330637 0.80 NOS2 (0.56) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6327580 0.80 NOS2 (0.47) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL6332201 0.79 NOS2 (0.66) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6329874 0.79 NOS2 (0.48) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6332391 0.78 NOS2 (0.50) 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.