SCHEMBL6503616

SCHEMBL6503616

CC(C)(C)OC(=O)NCC[C@@H](Oc1cc(Cl)ccc1C#N)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 8/20 0.45
CYP2D6 P10635 7/20 0.45
NOS2 P35228 7/20 0.45
KCNH2 Q12809 2/20 0.45
AAK1 Q2M2I8 4/20 0.38
CACNA2D1 P54289 3/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
IDO1 P14902 2/20 0.36
CTSA P10619 1/20 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
SCHEMBL7650957 0.95 SLC6A2 (0.42) SLC6A2SLC6A4CYP2D6NOS2KCNH2
Oxalic Acid SCHEMBL6491445 0.84 NOS2 (0.60) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6499874 0.83 SLC6A4 (0.64) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6491983 0.83 SLC6A4 (0.64) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6577563 0.83 NOS2 (0.41) SLC6A2SLC6A4CYP2D6NOS2KCNH2
Hydrochloric Acid SCHEMBL6502192 0.82 SLC6A4 (0.64) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6578890 0.79 CYP2D6 (0.49) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6499946 0.78 NOS2 (0.61) SLC6A2SLC6A4CYP2D6NOS2KCNH2
Hydrochloric Acid SCHEMBL6493136 0.77 NOS2 (0.60) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6576551 0.77 NOS2 (0.54) SLC6A2SLC6A4CYP2D6NOS2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 SLC6A2 1776/4885SLC6A4 2468/4885CYP2D6 49/4885

“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.