SCHEMBL762005

SCHEMBL762005

CN1CCOc2cc(C(C)(C)C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
AR P10275 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
NR1H3 Q13133 2/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 1/20 0.39
PDE10A Q9Y233 1/20 0.39
RORC P51449 1/20 0.39
NR1H2 P55055 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FGB P02675 1/20 0.38
TP53 P04637 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
SCHEMBL762353 0.88 ALDH1A1 (0.45) CYP11B1CYP11B2NOTUMALDH1A1AR
SCHEMBL3238438 0.87 CYP11B1 (0.47) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL14349378 0.84 CYP11B1 (0.45) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL8738573 0.84 CYP11B1 (0.45) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL14349187 0.80 AR (0.43) ALDH1A1HTTARL3MBTL1NR1H3
SCHEMBL2334976 0.77 CYP11B1 (0.52) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL154510 0.77 CYP11B1 (0.52) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL18216842 0.77 NOTUM (0.60) NOTUMPOLBTDP1MEN1KMT2A
SCHEMBL10203126 0.77 NOS3 (0.50) ALDH1A1AR
SCHEMBL19225688 0.76 PDE10A (0.47) CYP11B1CYP11B2NOTUMALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2022-01-04 US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 US disclosed
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-12-17 US disclosed
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 US disclosed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 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 (14 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CYP11B1 1440/4885CYP11B2 1428/4885NOTUM 1416/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B1 1168/4885CYP11B2 1579/4885NOTUM 931/4885
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 CYP11B1 1431/4885CYP11B2 1350/4885NOTUM 1552/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 CYP11B1 2400/4885CYP11B2 2502/4885NOTUM 3459/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CYP11B1 1641/4885CYP11B2 1585/4885NOTUM 2693/4885
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof CYP19A1, ESR1, GPER1 CYP11B1 82/4885CYP11B2 106/4885NOTUM 2695/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B1 1168/4885CYP11B2 1579/4885NOTUM 931/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CYP11B1 1641/4885CYP11B2 1585/4885NOTUM 2693/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CYP11B1 1641/4885CYP11B2 1585/4885NOTUM 2693/4885
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 CYP11B1 1249/4885CYP11B2 1337/4885NOTUM 1240/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CYP11B1 80/4885CYP11B2 103/4885NOTUM 2869/4885
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CYP11B1 80/4885CYP11B2 103/4885NOTUM 2869/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP11B1 1168/4885CYP11B2 1579/4885NOTUM 931/4885
US-20080070910-A1 Therapeutic compounds and methods SERPINB1, ABCC1, SERPINB6 CYP11B1 1037/4885CYP11B2 1168/4885NOTUM 2771/4885

“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.