SCHEMBL25412693

SCHEMBL25412693

Cc1ccc(C#N)c(O[C@H](CCCl)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.46
SLC6A4 P31645 13/20 0.46
CYP2D6 P10635 12/20 0.46
SLC6A2 P23975 12/20 0.46
KCNH2 Q12809 2/20 0.44
HDAC1 Q13547 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL25412117 1.00 NOS2 (0.46) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL26313486 0.89 NOS2 (0.46) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL25409866 0.88 NOS2 (0.57) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL25411357 0.88 NOS2 (0.57) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL25413459 0.85 SLC6A4 (0.58) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL25413462 0.85 SLC6A4 (0.58) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL26313493 0.84 SLC6A4 (0.50) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL26313488 0.83 SLC6A4 (0.46) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL25411241 0.82 SLC6A4 (0.45) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL25413663 0.82 SLC6A2 (0.45) NOS2SLC6A4CYP2D6SLC6A2KCNH2

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 3 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

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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 NOS2 3/4885SLC6A4 841/4885CYP2D6 360/4885

“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.