SCHEMBL26313637

SCHEMBL26313637

CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccnc(N)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.69
SLC6A4 P31645 15/20 0.69
SLC6A2 P23975 12/20 0.69
CYP2D6 P10635 11/20 0.69
KCNH2 Q12809 2/20 0.69
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL25413382 1.00 NOS2 (0.69) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL26313634 0.89 NOS2 (0.55) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL25412202 0.87 NOS2 (0.68) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL20435479 0.82 SLC6A4 (1.00) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6493450 0.82 SLC6A4 (1.00) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL25412228 0.81 NOS2 (0.55) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6492236 0.81 NOS2 (1.00) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6554362 0.81 NOS2 (1.00) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL25412508 0.81 SLC6A4 (0.64) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6577431 0.80 NOS2 (0.69) 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 1 patent. 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

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 841/4885SLC6A2 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.