SCHEMBL6490219

SCHEMBL6490219

N#Cc1ccc(Cl)cc1O[C@H](CCN1CCC(OC(=O)/C=C/C(=O)OC2CCN(CC[C@@H](Oc3cc(Cl)ccc3C#N)c3ccccc3)CC2)CC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.58
CYP2D6 P10635 9/20 0.58
SLC6A2 P23975 8/20 0.58
SLC6A4 P31645 8/20 0.58
KCNH2 Q12809 2/20 0.52
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL6493353 0.96 NOS2 (0.57) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6501748 0.96 NOS2 (0.57) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6490215 0.87 NOS2 (0.61) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6490223 0.87 NOS2 (0.61) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6502845 0.86 NOS2 (0.62) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6501751 0.84 NOS2 (0.60) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6493356 0.84 NOS2 (0.60) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6501741 0.84 NOS2 (0.60) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6491680 0.84 NOS2 (0.60) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6577453 0.84 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4TP53

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 NOS2 3/4885CYP2D6 49/4885SLC6A2 1776/4885

“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.