SCHEMBL6490433

SCHEMBL6490433

COCCNCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccoc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.53
SLC6A4 P31645 14/20 0.53
CYP2D6 P10635 12/20 0.53
SLC6A2 P23975 12/20 0.53
KCNH2 Q12809 2/20 0.41
F11 P03951 2/20 0.33
BCL2A1 Q16548 1/20 0.32

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
SCHEMBL7687085 1.00 NOS2 (0.53) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6500140 0.95 NOS2 (0.58) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6503271 0.87 SLC6A4 (0.72) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6491446 0.85 NOS2 (0.72) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6575167 0.84 SLC6A4 (0.53) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6490646 0.83 NOS2 (0.74) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL7646456 0.82 NOS2 (0.52) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6499514 0.82 NOS2 (0.52) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6579325 0.81 NOS2 (0.63) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL7651383 0.80 NOS2 (0.50) NOS2SLC6A4CYP2D6SLC6A2KCNH2

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 3/4885SLC6A4 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.