SCHEMBL2972097

SCHEMBL2972097

CC(C1CO1)N(C(=O)O)c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL4829698 1.00 NR1I2 (0.33) NR1I2TRPM8
SCHEMBL2870728 1.00 NR1I2 (0.33) NR1I2TRPM8
SCHEMBL3178738 0.86 ALDH1A1 (0.37)
SCHEMBL4829717 0.83 HCRTR2 (0.31)
SCHEMBL2978415 0.82 MEN1 (0.32)
SCHEMBL3171297 0.81 KAT6A (0.34)
SCHEMBL5670634 0.80 KMT2A (0.42)
SCHEMBL3169185 0.77 TRPM8 (0.33) TRPM8
SCHEMBL3293494 0.74 TRPM8 (0.41) TRPM8
SCHEMBL9281551 0.71 ERN1 (0.34) NR1I2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
EP-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
EP-1853553-A1 SUBSTITUTED HYDROXYETHYLAMINES Pfizer Products Incorporated (US) 2007-11-14 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 US disclosed
WO-2006085216-A1 SUBSTITUTED HYDROXYETHYLAMINES PFIZER PRODUCTS INC. (US) 2006-08-17 WO disclosed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US disclosed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 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 (6 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 NR1I2 1592/4885TRPM8 2172/4885
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH NR1I2 2535/4885TRPM8 4618/4885
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP NR1I2 1152/4885TRPM8 3278/4885
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome APP, BACE1, PSEN1 NR1I2 1949/4885TRPM8 1368/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 NR1I2 1589/4885TRPM8 3237/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP NR1I2 2996/4885TRPM8 4701/4885

“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.