SCHEMBL11920697

SCHEMBL11920697

O=CC1(c2ccc(F)cc2)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC6A3 Q01959 4/20 0.32
SLC6A4 P31645 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 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
SCHEMBL1836883 0.86 MAOB (0.39) SLC6A3SLC6A4SLC6A2HSD11B1MAOA
SCHEMBL7992156 0.83 NPC1 (0.35) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL6482109 0.83 L3MBTL1 (0.44) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL22816524 0.79 MMP1 (0.41) SLC6A3SLC6A4SLC6A2
SCHEMBL12020399 0.78 LIG1 (0.41) SLC6A3SLC6A4SLC6A2HSD11B1MAOA
SCHEMBL11920867 0.77 JAK2 (0.32) NPC1RAB9A
SCHEMBL436575 0.77 SLC6A3 (0.47) HDAC3HDAC1HDAC2HDAC6SLC6A3
SCHEMBL10052504 0.76 SLC6A4 (0.53) NPC1RAB9AGAAALDH1A1SLC6A3
SCHEMBL11920610 0.74 GAA (0.38) NPC1RAB9AL3MBTL1GAAKMT2A
SCHEMBL8004121 0.74 MAOB (0.37) NPC1RAB9ASLC6A3SLC6A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044004-B1 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY AMGEN INC (US) 2012-08-15 EP disclosed
US-20070299080-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy AMGEN INC. 2007-12-27 US disclosed
US-20070299080-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy AMGEN INC. 2007-12-27 US disclosed
WO-2007145835-A2 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY AMGEN INC. (US) 2007-12-21 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 (1 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-20070299080-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy HSD3B1, HSD17B1, HSD3B2 NPC1 458/4885RAB9A 1990/4885HDAC3 414/4885

“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.