SCHEMBL6490432

SCHEMBL6490432

N#Cc1cc(F)c(Br)cc1O[C@H](CCCl)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.63
NOS2 P35228 13/20 0.63
CYP2D6 P10635 11/20 0.63
SLC6A2 P23975 11/20 0.63
KCNH2 Q12809 2/20 0.50

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
SCHEMBL6501874 0.89 SLC6A4 (0.74) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6488890 0.87 NOS2 (0.82) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6500977 0.86 SLC6A4 (0.63) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6499628 0.84 SLC6A4 (0.77) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL7690513 0.82 SLC6A4 (0.53) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6497216 0.82 SLC6A4 (0.53) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6491310 0.81 SLC6A4 (0.54) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL7680237 0.81 SLC6A4 (0.54) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6490710 0.80 NOS2 (0.79) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6492460 0.79 NOS2 (0.77) SLC6A4NOS2CYP2D6SLC6A2KCNH2

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 3/4885CYP2D6 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.