SCHEMBL6798960

SCHEMBL6798960

O=C1CCCCC(CC[N+](=O)[O-])N1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6980573 0.82 NOS3 (0.44) NOS3NOS1NOS2
SCHEMBL6444135 0.75 NOS1 (0.37) NOS3NOS1NOS2ALDH1A1
SCHEMBL11025505 0.75 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL2989773 0.75 IRAK4 (0.32)
SCHEMBL8552930 0.74 NOS3 (0.48) NOS3NOS1NOS2
SCHEMBL4019894 0.74 CRBN (0.36) ALDH1A1
SCHEMBL6981306 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6970675 0.72 KMT2A (0.41) ALDH1A1
SCHEMBL1423906 0.72 ALDH1A1 (0.41) NOS1NOS2ALDH1A1
SCHEMBL8546566 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774126-B2 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-08-10 US disclosed
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-01-29 US disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6552052-B2 (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example MONSANTO/G.D. SEARLE 2003-04-22 US disclosed
US-6489323-B1 INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK G.D. SEARLE & CO. 2002-12-03 US disclosed
US-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors HANSEN DONALD W (US) 2001-11-22 US disclosed
EP-1086108-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. Searle & Co. (US) 2001-03-28 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO 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-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885NOS2 2/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885NOS2 2/4885

“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.