SCHEMBL5651211

SCHEMBL5651211

N#Cc1cc(F)c(Cl)cc1O[C@H](CN)c1ccon1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.58
SLC6A4 P31645 8/20 0.58
CYP2D6 P10635 7/20 0.58
SLC6A2 P23975 7/20 0.58
S1PR1 P21453 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
BCL2A1 Q16548 1/20 0.33
KCNH2 Q12809 2/20 0.33
KHK P50053 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
MET P08581 1/20 0.31

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
SCHEMBL6491496 0.93 NOS2 (0.65) NOS2SLC6A4CYP2D6SLC6A2S1PR1
Fumaric Acid SCHEMBL6504718 0.85 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2S1PR1
Fumaric Acid SCHEMBL6504713 0.85 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2S1PR1
SCHEMBL6489634 0.81 NOS2 (0.50) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6501101 0.81 NOS2 (0.63) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5652047 0.80 NOS2 (0.84) NOS2SLC6A4CYP2D6SLC6A2MRGPRX4
SCHEMBL6491135 0.78 NOS2 (0.42) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6502590 0.76 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2S1PR1
SCHEMBL6554330 0.76 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2S1PR1
SCHEMBL6490913 0.76 NOS2 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223794-B2 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2007-05-29 US claimed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 US claimed
US-7223794-B2 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2007-05-29 US disclosed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 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-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase CYP1A1, NOS3, NOS1 NOS2 5/4885SLC6A4 1486/4885CYP2D6 39/4885

“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.