SCHEMBL6050285

SCHEMBL6050285

CCCN(CCO)CC[C@@H](Oc1nc(C(F)(F)F)ccc1C#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.47
NOS2 P35228 9/20 0.47
SLC6A9 P48067 9/20 0.41
CYP2D6 P10635 6/20 0.41
SLC6A2 P23975 6/20 0.41
AR P10275 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL6050296 0.87 SLC6A4 (0.49) SLC6A4NOS2SLC6A9CYP2D6SLC6A2
SCHEMBL6050292 0.80 SLC6A4 (0.45) SLC6A4NOS2CYP2D6SLC6A2AR
SCHEMBL6050374 0.80 NOS2 (0.54) SLC6A4NOS2CYP2D6SLC6A2AR
SCHEMBL25413049 0.80 NOS2 (0.54) SLC6A4NOS2CYP2D6SLC6A2AR
SCHEMBL6050234 0.80 NOS2 (0.54) SLC6A4NOS2CYP2D6SLC6A2AR
SCHEMBL6050315 0.80 SLC6A4 (0.50) SLC6A4NOS2CYP2D6SLC6A2AR
SCHEMBL6050500 0.80 SLC6A4 (0.62) SLC6A4NOS2CYP2D6SLC6A2HRH3
SCHEMBL6898375 0.80 NOS2 (0.50) SLC6A4NOS2CYP2D6SLC6A2HRH3
SCHEMBL6050411 0.80 NOS2 (0.50) SLC6A4NOS2CYP2D6SLC6A2HRH3
Hydrochloric Acid SCHEMBL6050403 0.79 SLC6A4 (0.63) SLC6A4NOS2CYP2D6SLC6A2HRH3

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 4 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

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 SLC6A4 1799/4885NOS2 3/4885SLC6A9 3215/4885

“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.