SCHEMBL5648745

SCHEMBL5648745

CNC[C@@H](Sc1cc(Cl)ccc1C#N)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.70
SLC6A4 P31645 17/20 0.70
NOS2 P35228 14/20 0.70
CYP2D6 P10635 12/20 0.70
KCNH2 Q12809 2/20 0.50
SLC6A3 Q01959 1/20 0.40

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 SCHEMBL5650489 0.99 SLC6A2 (0.68) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6494143 0.89 SLC6A4 (0.72) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6496956 0.88 SLC6A4 (0.71) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL5653417 0.84 NOS2 (0.81) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5652171 0.83 NOS2 (0.79) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6505773 0.82 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5652438 0.79 NOS2 (0.46) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL7609174 0.77 NOS2 (0.54) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6498483 0.75 SLC6A4 (0.54) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6494424 0.75 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2

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
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
EP-1572068-A2 ARYLHETEROALKALYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2005-09-14 EP disclosed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 US disclosed
WO-2003011210-A2 ARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO 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 SLC6A2 1828/4885SLC6A4 1486/4885NOS2 5/4885

“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.