SCHEMBL31338749

SCHEMBL31338749

CCN(CC)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 19/20 1.00
▸ NOS2 P35228 17/20 1.00
▸ NOS3 P29474 15/20 1.00

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
SCHEMBL31284809 0.88 NOS1 (1.00) NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL31338768 0.87 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928465 0.84 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30054941 0.84 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL31338770 0.81 NOS1 (0.76) NOS1NOS2NOS3
SCHEMBL31338765 0.76 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928472 0.74 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928468 0.74 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL31338774 0.74 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30055641 0.73 NOS1 (1.00) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2025-05-29 — — US disclosed
US-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2025-03-04 — — 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-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885

“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.

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