SCHEMBL683102

SCHEMBL683102

O=C(O)[C@@H]1CCCN1C(=O)CS

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.62
LMNA P02545 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.58
F2 P00734 1/20 0.58
REN P00797 1/20 0.58
LTA4H P09960 1/20 0.58
MAPT P10636 1/20 0.58
PEPD P12955 1/20 0.58
ALOX15 P16050 1/20 0.58
PTGS1 P23219 1/20 0.58
HTR2A P28223 1/20 0.58
PTGS2 P35354 1/20 0.58
HRH1 P35367 1/20 0.58
THPO P40225 1/20 0.58
PMP22 Q01453 1/20 0.58
ACE2 Q9BYF1 1/20 0.58
MVD P53602 2/20 0.55

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
SCHEMBL6936699 1.00 ACE (0.62) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL7381081 0.94 ACE (0.56) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL7374901 0.88 ACE (0.47) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL683432 0.85 ACE (0.69) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL6789984 0.85 ACE (0.69) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL6789982 0.85 ACE (0.69) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL6782701 0.84 ACE (0.72) ACERENMVD
SCHEMBL6782705 0.84 ACE (0.72) ACERENMVD
SCHEMBL10797994 0.83 ACE (0.53) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL683796 0.83 DPP4 (0.46) ACE

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 36 patents — showing the first 20. 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
EP-0573581-A4 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1 INC (US) 1994-06-29 EP claimed
EP-0573581-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, Inc. (US) 1993-12-15 EP claimed
WO-1992014453-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, INC. (US) 1992-09-03 WO claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
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-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 EP 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-4209617-A 6,7-Dihydro-8H-pyrrolo[2,1-c][1,4]thiazine-1(8aH),4(3H)-dione MORTON-NORWICH PRODUCTS, INC. (US) 1980-06-24 US 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 (4 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ACE 4514/4885LMNA 3688/4885HSD17B10 3423/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885LMNA 2155/4885HSD17B10 2865/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH ACE 90/4885LMNA 3547/4885HSD17B10 268/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH ACE 66/4885LMNA 3420/4885HSD17B10 392/4885

“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.