SCHEMBL6576536

SCHEMBL6576536

CN(CCCC(Oc1cc(Cl)ccc1Cl)c1ccccc1)CCOC(=O)/C=C/C(=O)OCCN(C)CCCC(Oc1cc(Cl)ccc1Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.56
SLC6A9 P48067 5/20 0.46
SLC6A4 P31645 4/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A2 P23975 3/20 0.41
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 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
Fumaric Acid SCHEMBL6576532 0.85 NOS2 (0.66) NOS2SLC6A9SLC6A4CYP2D6SLC6A2
Fumaric Acid SCHEMBL6576541 0.85 NOS2 (0.66) NOS2SLC6A9SLC6A4CYP2D6SLC6A2
SCHEMBL6577564 0.84 NOS2 (0.59) NOS2SLC6A9SLC6A4CYP2D6SLC6A2
SCHEMBL6576497 0.73 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6579534 0.73 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6579339 0.73 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Fumaric Acid SCHEMBL6491175 0.72 NOS2 (1.00) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Fumaric Acid SCHEMBL6491990 0.72 NOS2 (1.00) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6577453 0.71 NOS2 (0.52) NOS2SLC6A4CYP2D6SLC6A2MEN1
SCHEMBL6491987 0.71 NOS2 (0.61) NOS2SLC6A9SLC6A4CYP2D6SLC6A2

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-6743939-B2 NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE ASTRAZENECA AB (SE) 2004-06-01 US disclosed
EP-1263714-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030105161-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-06-05 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-20030105161-A1 Novel phenylheteroalkylamine derivatives NOS1, CYP1A1, NOS2 NOS2 3/4885SLC6A9 3498/4885SLC6A4 2202/4885

“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.