SCHEMBL6501564

SCHEMBL6501564

CNC(C[C@@H](Oc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)OC(=O)/C=C/C(=O)OC(C[C@@H](Oc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 4/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
LMNA P02545 4/20 0.38
NPC1 O15118 2/20 0.38
CYP2C19 P33261 2/20 0.38
MTOR P42345 2/20 0.38
RAB9A P51151 2/20 0.38
CYP3A4 P08684 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL6491987 0.87 NOS2 (0.61) NOS2L3MBTL1CYP2D6SLC6A2SLC6A4
Fumaric Acid SCHEMBL6501560 0.78 NOS2 (0.76) NOS2CYP2D6SLC6A2SLC6A4SMN1; SMN2
Fumaric Acid SCHEMBL6501568 0.78 NOS2 (0.76) NOS2CYP2D6SLC6A2SLC6A4SMN1; SMN2
SCHEMBL6577361 0.75 NOS2 (0.52) NOS2L3MBTL1CYP2D6SMN1; SMN2MEN1
SCHEMBL6502150 0.75 SLC6A4 (0.40) NOS2CYP2D6SLC6A2SLC6A4SMN1; SMN2
SCHEMBL6502153 0.75 NOS2 (0.72) NOS2CYP2D6SLC6A2SLC6A4SMN1; SMN2
SCHEMBL6502159 0.75 NOS2 (0.72) NOS2CYP2D6SLC6A2SLC6A4SMN1; SMN2
SCHEMBL9411489 0.73 SLC6A9 (0.47) NOS2CYP2D6SLC6A2SLC6A4MEN1
SCHEMBL7769268 0.69 OPRM1 (0.41) CYP2D6SLC6A2SLC6A4SMN1; SMN2MEN1
SCHEMBL9499388 0.69 SLC6A4 (0.36) NOS2CYP2D6SLC6A2SLC6A4SMN1; SMN2

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-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
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 NOS2 3/4885L3MBTL1 3920/4885CYP2D6 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.