SCHEMBL3662902

SCHEMBL3662902

O=C(CS)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
PRCP P42785 2/20 0.36
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35
SCN4A P35499 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
FAP Q12884 1/20 0.34
ELANE P08246 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.32

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
SCHEMBL7379328 0.86 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7374027 0.86 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
SCHEMBL542283 0.85 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL30265157 0.84 PRCP (0.44) NOS2NOS3NOS1PRCPDPP4
SCHEMBL5633667 0.84 DPP4 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL9362980 0.84 PRCP (0.44) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7379008 0.83 PRCP (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL10798003 0.83 PRCP (0.37) NOS2NOS3NOS1PRCPDPP4
SCHEMBL146828 0.82 NOS2 (0.46) NOS2NOS3NOS1PRCPDPP4
SCHEMBL995604 0.82 NOS2 (0.46) NOS2NOS3NOS1PRCPDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 US claimed
US-6559186-B1 Pain is treated topically by administering to the site where sympathetically maintained pain is present an alpha -1-adrenergic antagonist, alpha -2- adrenergic agonist, or other drug that depletes or blocks synthesis of sympathetic ARC 1, INC. 2003-05-06 US claimed
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 US disclosed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
US-6559186-B1 Pain is treated topically by administering to the site where sympathetically maintained pain is present an alpha -1-adrenergic antagonist, alpha -2- adrenergic agonist, or other drug that depletes or blocks synthesis of sympathetic ARC 1, INC. 2003-05-06 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO disclosed
EP-0017390-A2 Bicyclic oxo-thiolactones, pharmaceutical compositions containing them, processes for their preparation and compounds useful as intermediates for their preparation AMERICAN HOME PRODUCTS CORPORATION (US) 1980-10-15 EP disclosed
WO-1980002025-A1 BICYCLIC OXO-THIOLACTONES AMERICAN HOME PROD (US) 1980-10-02 WO disclosed
US-4179568-A (N-lower alkyl-3,5-dioxo-3-pyrrolidinyl)thioalkanoylpyrrolidine-and piperidine-carboxylic acid compounds E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH NOS2 1242/4885NOS3 1167/4885NOS1 844/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH NOS2 965/4885NOS3 728/4885NOS1 623/4885

“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.