SCHEMBL8357699

SCHEMBL8357699

OCC1(c2ccccc2F)CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.36
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ESR1 P03372 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 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
SCHEMBL14893972 0.80 HDAC4 (0.45) HDAC4SLC6A4SLC6A3ESR1OPRM1
SCHEMBL7084067 0.79 OPRM1 (0.48) HDAC4MAPK1SMN1; SMN2MEN1NPC1
SCHEMBL4792359 0.77 MAOA (0.46) SLC6A4SLC6A3MAPK1SMN1; SMN2MEN1
SCHEMBL3980168 0.76 SLC6A2 (0.40) HDAC4SLC6A4ESR1OPRM1OPRD1
SCHEMBL23612354 0.75 HDAC4 (0.37) HDAC4ESR1KMT2AALDH1A1OPRM1
SCHEMBL3969227 0.74 HDAC4 (0.41) HDAC4ESR1MEN1KMT2AOPRM1
SCHEMBL14341371 0.74 SLC6A3 (0.41) SLC6A4SLC6A3NPC1RAB9AKMT2A
SCHEMBL8359836 0.74 HDAC4 (0.48) HDAC4MAPK1SMN1; SMN2MEN1NPC1
SCHEMBL11920611 0.73 HPGD (0.39) HDAC4ESR1OPRL1CYP2C9CYP2C19
SCHEMBL14341357 0.73 ALDH1A1 (0.34) HDAC4SMN1; SMN2MEN1NPC1RAB9A

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
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
US-5952325-A Tricyclic spiro compounds process for their preparation and their use of 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-09-14 US disclosed
EP-0862565-A1 TRICYCLIC SPIRO COMPOUNDS AS 5HT 1D? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
EP-0787133-A1 TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-06 EP disclosed
WO-1997019070-A1 TRICYCLIC SPIRO COMPOUNDS AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-05-29 WO disclosed
WO-1996011934-A1 TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-25 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 HDAC4 572/4885SLC6A4 4417/4885SLC6A3 4307/4885

“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.