SCHEMBL6050256

SCHEMBL6050256

N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1cc(Cl)no1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.71
SLC6A4 P31645 7/20 0.71
CYP2D6 P10635 5/20 0.39
SLC6A2 P23975 5/20 0.39
GPR119 Q8TDV5 1/20 0.37
S1PR1 P21453 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
SCHEMBL6050236 0.83 SLC6A4 (1.00) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6892410 0.83 SLC6A4 (1.00) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6050395 0.82 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6050326 0.79 NOS2 (0.67) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6050141 0.77 SLC6A4 (0.88) NOS2SLC6A4GPR119
SCHEMBL6050317 0.77 NOS2 (0.64) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6050219 0.76 NOS2 (0.69) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6050442 0.76 NOS2 (0.69) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6078288 0.76 NOS2 (0.65) NOS2SLC6A4CYP2D6SLC6A2GPR119
SCHEMBL6050244 0.75 SLC6A4 (0.64) NOS2SLC6A4CYP2D6SLC6A2GPR119

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
EP-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP claimed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US claimed
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
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011830-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-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 NOS2 3/4885SLC6A4 1799/4885CYP2D6 37/4885

“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.