SCHEMBL3970045

SCHEMBL3970045

O=C1CCC(CO)(c2cnccn2)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
VNN1 O95497 1/20 0.30
SORD Q00796 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TSHR P16473 1/20 0.30
MC4R P32245 1/20 0.30
ADRA1A P35348 1/20 0.30
MC3R P41968 1/20 0.30

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
Ethylene SCHEMBL3969151 0.97 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL28195064 0.86 POLB (0.34) PDE4AKDM4ENAPRTHCAR2VNN1
SCHEMBL3973036 0.78 VNN1 (0.31) VNN1
SCHEMBL3973883 0.77 HSD11B1 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL11920275 0.76 POLB (0.32) PDE4AKDM4E
SCHEMBL11920273 0.75 SLC6A4 (0.33) VNN1
Ethylene SCHEMBL3974357 0.75 OPRM1 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL14341392 0.74 SMYD3 (0.33) KDM4E
SCHEMBL3969999 0.73 PDE4A (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL17443949 0.72 OPRM1 (0.36)

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 9 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-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
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
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 PDE4A 427/4885PDE4B 598/4885PDE4C 775/4885

“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.