SCHEMBL4076016

SCHEMBL4076016

O=C(O)C1(c2ncccn2)CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
AKR1C1 Q04828 1/20 0.33
F12 P00748 1/20 0.33
PTPN11 Q06124 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL21880061 0.86 AKR1C1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL4074236 0.81 KMT2A (0.36) ALDH1A1SMN1; SMN2KMT2AHSD17B10GAA
SCHEMBL31292350 0.78 AKR1C1 (0.48) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL28059190 0.77 AKR1C1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL735386 0.76 AKR1C1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL745489 0.75 PDE10A (0.31) ALDH1A1SMN1; SMN2L3MBTL1GAAPOLB
SCHEMBL4073860 0.71 SLC6A4 (0.33) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17443844 0.71 HSD11B1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29460926 0.71 HSD11B1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL15167488 0.70 SMN1; SMN2 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772296-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-07-08 US disclosed
EP-2044004-B1 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY AMGEN INC (US) 2012-08-15 EP disclosed
EP-2044004-A2 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY Amgen Inc. (US) 2009-04-08 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
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 ALDH1A1 330/4885NPC1 458/4885RAB9A 1990/4885

“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.