SCHEMBL6078288

SCHEMBL6078288

N#Cc1ccc(C(F)(F)F)nc1OC(CCN)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.65
SLC6A4 P31645 7/20 0.65
GPR119 Q8TDV5 1/20 0.36
CYP2D6 P10635 5/20 0.33
SLC6A2 P23975 5/20 0.33
CYP3A4 P08684 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
MBOAT4 Q96T53 3/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SCN9A Q15858 1/20 0.31
AR P10275 1/20 0.30

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 SCHEMBL6077883 0.99 NOS2 (0.64) NOS2SLC6A4GPR119CYP2D6SLC6A2
SCHEMBL6079192 0.90 NOS2 (0.62) NOS2SLC6A4GPR119CYP2D6SLC6A2
SCHEMBL6079478 0.84 SLC6A4 (0.50) NOS2SLC6A4GPR119CYP2D6SLC6A2
SCHEMBL6079471 0.84 SLC6A4 (0.50) NOS2SLC6A4GPR119CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6079158 0.83 SLC6A4 (0.49) NOS2SLC6A4GPR119CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6079152 0.83 SLC6A4 (0.49) NOS2SLC6A4GPR119CYP2D6SLC6A2
Fumaric Acid SCHEMBL6078710 0.81 NOS2 (0.58) NOS2SLC6A4GPR119CYP2D6SLC6A2
Fumaric Acid SCHEMBL6078717 0.81 NOS2 (0.58) NOS2SLC6A4GPR119CYP2D6SLC6A2
SCHEMBL6050236 0.79 SLC6A4 (1.00) NOS2SLC6A4GPR119CYP2D6SLC6A2
SCHEMBL6892410 0.79 SLC6A4 (1.00) NOS2SLC6A4GPR119CYP2D6SLC6A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US claimed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US claimed
EP-1421067-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003011831-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO claimed
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US disclosed
EP-1421067-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003011831-A1 HETEROARYLHETEROALKYLAMINE 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-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS2, NOS1 NOS2 2/4885SLC6A4 1543/4885GPR119 1942/4885

“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.