SCHEMBL1258505

SCHEMBL1258505

CC(C)[CH]C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL15203519 0.83 RAB9A (0.43) SMN1; SMN2PKMRAB9ANPC1MAPT
SCHEMBL10147224 0.82 RAB9A (0.53) SMN1; SMN2PKMRAB9ANPC1MAPT
SCHEMBL6708219 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PKMRAB9ANPC1MAPT
SCHEMBL3628072 0.79 SMN1; SMN2 (0.41) SMN1; SMN2PKMRAB9ANPC1MAPT
SCHEMBL293876 0.77 SMN1; SMN2 (0.54) SMN1; SMN2PKMRAB9ANPC1MAPT
SCHEMBL14902296 0.76 SMN1; SMN2 (0.44) SMN1; SMN2PKMRAB9ANPC1MAPT
SCHEMBL1896875 0.75 RAB9A (0.52) SMN1; SMN2RAB9ANPC1CA12CA1
SCHEMBL5414830 0.75 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1CA12CA1
SCHEMBL8333357 0.74 RAB9A (0.51) SMN1; SMN2RAB9ANPC1CA12CA1
SCHEMBL9395643 0.74 SMN1; SMN2 (0.56) SMN1; SMN2PKMRAB9ANPC1MAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464623-B1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2020-11-04 EP disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 US disclosed
EP-1689702-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-30 EP disclosed
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2012-06-28 US disclosed
EP-2464623-A1 THE RING OPENING OF LACTONES AND LACTAMS Novartis AG (CH) 2012-06-20 EP disclosed
US-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-7919529-B2 δ-amino-γ-hydroxy-ω-aryl-alkanoic acid amides NOVARTIS AG (CH) 2011-04-05 US disclosed
WO-2011019789-A1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2011-02-17 WO disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
EP-2266951-A1 Organic compounds Novartis AG (CH) 2010-12-29 EP disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 WO disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP 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 (3 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 SMN1; SMN2 4584/4885PKM 1924/4885RAB9A 609/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 SMN1; SMN2 1203/4885PKM 3608/4885RAB9A 1478/4885
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS LSS, APH1A, OTUB1 SMN1; SMN2 4699/4885PKM 3690/4885RAB9A 2935/4885

“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.