SCHEMBL2587863

SCHEMBL2587863

CC(C)(C)OC(=O)N1C2CCC1CC(O)(c1ncccc1F)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.48
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
HDAC1 Q13547 1/20 0.39
KCNK3 O14649 5/20 0.39
KCNK9 Q9NPC2 5/20 0.39
HSD11B1 P28845 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2583990 0.89 GPR119 (0.48) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL14947619 0.87 GPR119 (0.46) GPR119CHRM2CHRM1CHRM3KCNK3
SCHEMBL2592355 0.82 CHRM2 (0.46) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL2592119 0.82 CHRM2 (0.48) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL8207978 0.81 POLB (0.48) GPR119CHRM2CHRM1CHRM3KCNK3
SCHEMBL2587471 0.81 GPR119 (0.46) GPR119CHRM2CHRM1CHRM3GRM5
SCHEMBL2591601 0.78 OPRM1 (0.49) GPR119CHRM2CHRM1CHRM3GRM5
SCHEMBL3787005 0.78 POLB (0.50) GPR119GRM5GRM1POLB
SCHEMBL2591787 0.78 GPR119 (0.46) GPR119CHRM2CHRM1CHRM3GRM5
SCHEMBL6500041 0.77 GAA (0.61) GPR119CHRM2CHRM1CHRM3HTT

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-9834549-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]OCT-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2017-12-05 US disclosed
US-9834549-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]OCT-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2017-12-05 US disclosed
US-9834549-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]OCT-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2017-12-05 US disclosed
US-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-09-01 US disclosed
US-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-09-01 US disclosed
US-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-09-01 US disclosed
US-9365564-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]oct-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-06-14 US disclosed
US-9365564-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]oct-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-06-14 US disclosed
US-9365564-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]oct-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-06-14 US disclosed
EP-2563780-B1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11(BETA)-HSD1 UNIV EDINBURGH (GB) 2015-05-06 EP disclosed
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2013-05-16 US disclosed
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2013-05-16 US disclosed
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2013-05-16 US disclosed
EP-2563780-A1 3, 3 -DISUBSTITUTED- ( 8 - AZA - BICYCLO [3.2.1]OCT- 8 - YL) -[5- (1H - PYRAZOL - 4 -YL) -THIOPHEN-3 -YL]METHANONES AS INHIBITORS OF 11 (BETA) -HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2013-03-06 EP disclosed
WO-2011135276-A1 3, 3 -DISUBSTITUTED- ( 8 - AZA - BICYCLO [3.2.1] OCT- 8 - YL) -[5- (1H - PYRAZOL - 4 -YL) -THIOPHEN-3 -YL] METHANONES AS INHIBITORS OF 11 (BETA) -HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2011-11-03 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 (2 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-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 HSD11B1, HSD3B1, HSD17B1 GPR119 117/4885CHRM2 2746/4885CHRM1 1841/4885
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 HSD11B1, HSD3B1, HSD17B1 GPR119 117/4885CHRM2 2746/4885CHRM1 1841/4885

“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.