SCHEMBL6488924

SCHEMBL6488924

N#Cc1cc(F)c(Br)cc1O[C@H](CCNCCCOC(=O)C(=O)OCCCNCC[C@@H](Oc1cc(Br)c(F)cc1C#N)c1ccsc1)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.40
SLC6A4 P31645 8/20 0.40
CYP2D6 P10635 7/20 0.40
NOS2 P35228 7/20 0.40
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
CACNA2D1 P54289 3/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6491591 0.90 NOS2 (0.52) SLC6A2SLC6A4CYP2D6NOS2S1PR1
SCHEMBL6504623 0.89 SLC6A2 (0.40) SLC6A2SLC6A4CYP2D6NOS2CACNA2D1
SCHEMBL7174582 0.89 SLC6A2 (0.40) SLC6A2SLC6A4CYP2D6NOS2CACNA2D1
Oxalic Acid SCHEMBL6488920 0.88 SLC6A2 (0.46) SLC6A2SLC6A4CYP2D6NOS2S1PR1
SCHEMBL6491866 0.88 SLC6A4 (0.53) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6492890 0.85 NOS2 (0.40) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL6503637 0.84 NOS2 (0.54) SLC6A2SLC6A4CYP2D6NOS2S1PR1
Oxalic Acid SCHEMBL6489765 0.80 CYP2D6 (0.44) SLC6A2SLC6A4CYP2D6NOS2S1PR1
SCHEMBL7648418 0.79 SLC6A2 (0.38) SLC6A2SLC6A4CYP2D6NOS2CACNA2D1
SCHEMBL6504778 0.79 SLC6A2 (0.38) SLC6A2SLC6A4CYP2D6NOS2CACNA2D1

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 2 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
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.