SCHEMBL6501495

SCHEMBL6501495

N#Cc1cc(F)c(Cl)cc1O[C@H](CCNCCO)c1ccsc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.55
SLC6A2 P23975 10/20 0.55
SLC6A4 P31645 10/20 0.55
CYP2D6 P10635 9/20 0.55
KCNH2 Q12809 2/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CACNA2D1 P54289 4/20 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
Oxalic Acid SCHEMBL6503634 0.95 NOS2 (0.61) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL7179837 0.94 NOS2 (0.53) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL6490536 0.94 NOS2 (0.53) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL6503396 0.91 NOS2 (0.61) NOS2SLC6A2SLC6A4CYP2D6KCNH2
Oxalic Acid SCHEMBL6491585 0.90 NOS2 (0.59) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL6503637 0.88 NOS2 (0.54) NOS2SLC6A2SLC6A4CYP2D6KCNH2
Oxalic Acid SCHEMBL6497422 0.88 NOS2 (0.66) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL6497932 0.87 SLC6A4 (0.55) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL6498761 0.87 NOS2 (0.72) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL6491591 0.87 NOS2 (0.52) NOS2SLC6A2SLC6A4CYP2D6KCNH2

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 8 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 claimed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP claimed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US claimed
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 3/4885SLC6A2 1776/4885SLC6A4 2468/4885

“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.