SCHEMBL6050374

SCHEMBL6050374

N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCCl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.54
SLC6A4 P31645 13/20 0.54
SLC6A2 P23975 11/20 0.44
CYP2D6 P10635 9/20 0.44
KCNH2 Q12809 3/20 0.39
AR P10275 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
SLC6A3 Q01959 2/20 0.36
KCNK2 O95069 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN9A Q15858 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
SCHEMBL25413049 1.00 NOS2 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6050234 0.88 NOS2 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6050500 0.85 SLC6A4 (0.62) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6050403 0.84 SLC6A4 (0.63) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6050428 0.84 SLC6A4 (0.51) NOS2SLC6A4SLC6A2CYP2D6GPR119
SCHEMBL6050315 0.84 SLC6A4 (0.50) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6050263 0.83 SLC6A4 (0.49) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6050296 0.83 SLC6A4 (0.49) NOS2SLC6A4SLC6A2CYP2D6AR
SCHEMBL25412693 0.82 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL25412117 0.82 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
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 (2 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 1799/4885SLC6A2 1696/4885
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 NOS2 3/4885SLC6A4 841/4885SLC6A2 1484/4885

“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.