SCHEMBL6050442

SCHEMBL6050442

N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ncco1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.69
SLC6A4 P31645 5/20 0.69
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CYP2D6 P10635 3/20 0.33
SLC6A2 P23975 3/20 0.33
SCN9A Q15858 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CTSA P10619 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
SCHEMBL6050219 1.00 NOS2 (0.69) NOS2SLC6A4CYP3A4AAK1CYP2D6
SCHEMBL6050236 0.82 SLC6A4 (1.00) NOS2SLC6A4CYP3A4AAK1CYP2D6
SCHEMBL6892410 0.82 SLC6A4 (1.00) NOS2SLC6A4CYP3A4AAK1CYP2D6
SCHEMBL6280985 0.81 SLC6A4 (0.49) NOS2SLC6A4CYP3A4AAK1SCN9A
SCHEMBL6050326 0.80 NOS2 (0.67) NOS2SLC6A4CYP3A4AAK1CYP2D6
SCHEMBL6050493 0.79 SLC6A4 (0.66) NOS2SLC6A4CYP2D6SLC6A2SCN9A
Hydrochloric Acid SCHEMBL6050197 0.78 SLC6A4 (0.65) NOS2SLC6A4CYP2D6SLC6A2SCN9A
SCHEMBL6050256 0.76 NOS2 (0.71) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6050395 0.76 NOS2 (0.68) NOS2SLC6A4CYP3A4AAK1CYP2D6
SCHEMBL6078288 0.76 NOS2 (0.65) NOS2SLC6A4CYP3A4AAK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP disclosed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 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-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 NOS2 3/4885SLC6A4 1799/4885CYP3A4 55/4885

“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.