SCHEMBL6497932

SCHEMBL6497932

CNCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccsc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.55
SLC6A2 P23975 11/20 0.55
CYP2D6 P10635 10/20 0.55
NOS2 P35228 10/20 0.55
KCNH2 Q12809 2/20 0.54
CACNA2D1 P54289 7/20 0.46

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 SCHEMBL6499424 0.94 SLC6A4 (0.60) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6503396 0.88 NOS2 (0.61) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6497899 0.87 NOS2 (0.59) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6498761 0.87 NOS2 (0.72) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6501495 0.87 NOS2 (0.55) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6500726 0.86 NOS2 (0.58) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6489677 0.86 SLC6A2 (0.52) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL7679899 0.86 SLC6A2 (0.52) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL7179837 0.85 NOS2 (0.53) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6490536 0.85 NOS2 (0.53) SLC6A4SLC6A2CYP2D6NOS2KCNH2

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 SLC6A4 2468/4885SLC6A2 1776/4885CYP2D6 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.