SCHEMBL5653417

SCHEMBL5653417

N#Cc1ccc(Cl)cc1S[C@H](CN)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.81
CYP2D6 P10635 10/20 0.81
SLC6A2 P23975 10/20 0.81
SLC6A4 P31645 10/20 0.81
KCNH2 Q12809 2/20 0.41
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA7 P36544 1/20 0.35
S1PR3 Q99500 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34

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
Hydrochloric Acid SCHEMBL5652171 0.99 NOS2 (0.79) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6505773 0.90 NOS2 (1.00) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL5649165 0.85 NOS2 (0.61) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL5667983 0.84 NOS2 (0.60) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL5648745 0.84 SLC6A2 (0.70) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL5650489 0.83 SLC6A2 (0.68) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6494424 0.81 NOS2 (1.00) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6494416 0.81 NOS2 (1.00) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL5651711 0.81 NOS2 (0.54) NOS2CYP2D6SLC6A2SLC6A4CHRNB2
SCHEMBL6494143 0.81 SLC6A4 (0.72) NOS2CYP2D6SLC6A2SLC6A4KCNH2

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 6 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
EP-1572068-A2 ARYLHETEROALKALYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2005-09-14 EP claimed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 US claimed
WO-2003011210-A2 ARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO 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 5/4885CYP2D6 39/4885SLC6A2 1828/4885

“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.