SCHEMBL1363389

SCHEMBL1363389

COC(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.69
CYP11B2 P19099 1/20 0.69
SMO Q99835 9/20 0.56
NR3C1 P04150 9/20 0.55
CCR1 P32246 1/20 0.53
PGR P06401 1/20 0.51

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
SCHEMBL20167005 0.90 CYP11B1 (0.59) CYP11B1CYP11B2SMONR3C1CCR1
SCHEMBL348090 0.88 CYP11B1 (0.57) CYP11B1CYP11B2SMONR3C1
SCHEMBL31632962 0.86 CYP11B2 (0.65) CYP11B1CYP11B2SMOCCR1
SCHEMBL5462215 0.86 SMO (0.68) CYP11B1CYP11B2SMOCCR1
SCHEMBL23535745 0.86 CYP11B1 (0.60) CYP11B1CYP11B2SMONR3C1
SCHEMBL17942269 0.85 CYP11B1 (0.55) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL22805865 0.85 NR3C1 (0.59) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL1362909 0.84 NR3C1 (0.60) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL5381492 0.84 MAOB (0.58) CYP11B1CYP11B2SMONR3C1CCR1
SCHEMBL1361914 0.82 CYP11B1 (0.54) CYP11B1CYP11B2SMONR3C1CCR1

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
CN-111247129-A Piperazine derivatives as MAGL inhibitors 豪夫迈·罗氏有限公司 2020-06-05 CN disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
EP-2094692-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-11-28 EP disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
CN-101573340-A Modulators of glucocorticoid receptor AP-1 and/or NF-kB activity and uses thereof BRISTOL MYERS SQUIBB CO (US) 2009-11-04 CN disclosed
EP-2099767-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- B ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-16 EP disclosed
EP-2094692-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-02 EP disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057857-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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 (4 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 CYP11B1 69/4885CYP11B2 109/4885SMO 1265/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG CYP11B1 3848/4885CYP11B2 3550/4885SMO 2264/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG CYP11B1 3848/4885CYP11B2 3550/4885SMO 2264/4885
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 CYP11B1 75/4885CYP11B2 163/4885SMO 3308/4885

“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.