SCHEMBL6503271

SCHEMBL6503271

COCCNCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.72
NOS2 P35228 13/20 0.72
SLC6A2 P23975 12/20 0.72
CYP2D6 P10635 11/20 0.72
KCNH2 Q12809 2/20 0.56
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL6490646 0.95 NOS2 (0.74) SLC6A4NOS2SLC6A2CYP2D6KCNH2
SCHEMBL6491498 0.89 SLC6A4 (0.80) SLC6A4NOS2SLC6A2CYP2D6KCNH2
SCHEMBL6500993 0.89 NOS2 (0.83) SLC6A4NOS2SLC6A2CYP2D6KCNH2
SCHEMBL6491604 0.88 SLC6A4 (0.74) SLC6A4NOS2SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6493276 0.88 NOS2 (0.82) SLC6A4NOS2SLC6A2CYP2D6KCNH2
SCHEMBL6493081 0.87 SLC6A4 (0.70) SLC6A4NOS2SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6491186 0.87 SLC6A4 (0.73) SLC6A4NOS2SLC6A2CYP2D6KCNH2
SCHEMBL6490433 0.87 NOS2 (0.53) SLC6A4NOS2SLC6A2CYP2D6KCNH2
SCHEMBL7687085 0.87 NOS2 (0.53) SLC6A4NOS2SLC6A2CYP2D6KCNH2
SCHEMBL6490961 0.86 SLC6A4 (0.76) SLC6A4NOS2SLC6A2CYP2D6KCNH2

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 SLC6A4 2468/4885NOS2 3/4885SLC6A2 1776/4885

“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.