SCHEMBL2594427

SCHEMBL2594427

Cc1cccnc1C1(F)CC2CCC(C1)N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
OPRL1 P41146 2/20 0.34
SLC6A4 P31645 3/20 0.33
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2580066 0.81 KDM4E (0.39) NOS3NOS1NOS2OPRL1SLC6A4
SCHEMBL2589944 0.78 CHRNB2 (0.33) NOS3NOS1NOS2OPRL1SLC6A4
SCHEMBL16693929 0.74 CHRM2 (0.38) OPRL1SLC6A4SLC6A2
SCHEMBL2583270 0.74 CHRM2 (0.38) OPRL1SLC6A4SLC6A2
SCHEMBL12178899 0.74 CHRNB2 (0.38) SLC6A4HTR1ASLC6A2CHRNB2CHRNA4
SCHEMBL5732429 0.72 ALDH1A1 (0.38) NOS3NOS1NOS2SLC6A4HTR1A
SCHEMBL14935825 0.70 OPRM1 (0.34) OPRL1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2584014 0.70 RAB9A (0.32) SLC6A4HTR1ASLC6A2CHRNB2CHRNA4
SCHEMBL14947632 0.69 CHRNB2 (0.36) OPRL1CHRNB2CHRNA4
SCHEMBL2690334 0.68 NOS3 (0.36) NOS3NOS1NOS2OPRL1KDM4E

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 16 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
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 NOS3 559/4885NOS1 244/4885NOS2 620/4885
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 NOS3 559/4885NOS1 244/4885NOS2 620/4885

“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.