SCHEMBL762347

SCHEMBL762347

CN1C(=O)COc2cc(C(C)(C)C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.51
CYP11B1 P15538 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
POLB P06746 1/20 0.46
HTR1A P08908 4/20 0.44
HTR2C P28335 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
GABRA5 P31644 3/20 0.41
GABRA1 P14867 1/20 0.41
NR1H3 Q13133 1/20 0.40
IDH1 O75874 1/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX5 P09917 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
SCHEMBL762019 0.88 ALDH1A1 (0.61) CYP11B2CYP11B1ALDH1A1PDE3BPDE3A
SCHEMBL8736581 0.85 CYP11B2 (0.47) CYP11B2CYP11B1ALDH1A1PDE3BPDE3A
SCHEMBL24865349 0.85 GABRG2 (0.46) CYP11B2CYP11B1ALDH1A1PDE3BPDE3A
SCHEMBL30336271 0.85 GABRG2 (0.46) CYP11B2CYP11B1ALDH1A1PDE3BPDE3A
SCHEMBL5985192 0.79 CYP11B2 (0.55) CYP11B2CYP11B1PDE3BPDE3APOLB
SCHEMBL12101220 0.78 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL9411106 0.78 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL22077625 0.78 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL15059383 0.78 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL520359 0.78 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US 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 (11 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 CYP11B2 1337/4885CYP11B1 1249/4885ALDH1A1 4344/4885
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 CYP11B2 1071/4885CYP11B1 854/4885ALDH1A1 3700/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1579/4885CYP11B1 1168/4885ALDH1A1 312/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1579/4885CYP11B1 1168/4885ALDH1A1 312/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 CYP11B2 1071/4885CYP11B1 854/4885ALDH1A1 3700/4885
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 CYP11B2 1337/4885CYP11B1 1249/4885ALDH1A1 4344/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 CYP11B2 1337/4885CYP11B1 1249/4885ALDH1A1 4344/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP11B2 725/4885CYP11B1 488/4885ALDH1A1 780/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK CYP11B2 4518/4885CYP11B1 4149/4885ALDH1A1 4478/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 CYP11B2 1071/4885CYP11B1 854/4885ALDH1A1 3700/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP11B2 725/4885CYP11B1 488/4885ALDH1A1 780/4885

“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.