SCHEMBL6797874

SCHEMBL6797874

CC(C)(C)OC(=O)NCCC1CCCCNC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.47
▸ CCR2 P41597 11/20 0.43
▸ TDP1 Q9NUW8 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36

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
SCHEMBL28453830 0.87 CCR2 (0.45) EPHX1CCR2CCR1CCR5CXCR4
SCHEMBL31068603 0.81 CCR2 (0.51) EPHX1CCR2CCR1CCR5CXCR4
SCHEMBL24584277 0.78 CACNA1B (0.40) CCR2
SCHEMBL29866024 0.77 GAA (0.40) EPHX1GAA
SCHEMBL19817054 0.77 GAA (0.40) EPHX1GAA
SCHEMBL4163769 0.76 EPHX1 (0.51) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL29063250 0.75 ITGAV (0.45) —
SCHEMBL24189592 0.75 CCR2 (0.35) CCR2
SCHEMBL6799750 0.74 EPHX1 (0.63) EPHX1TDP1L3MBTL1GAAMEN1
SCHEMBL4704983 0.74 CCR2 (0.67) CCR2CCR1CCR5CXCR4GAA

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 7 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
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
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 — — 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 EPHX1 1094/4885CCR2 3711/4885TDP1 502/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 EPHX1 1073/4885CCR2 3028/4885TDP1 510/4885

“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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