SCHEMBL5007614

SCHEMBL5007614

CN1CCC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CTSK P43235 2/20 0.57
BTK Q06187 2/20 0.54
HSD11B1 P28845 4/20 0.48
CYP2C9 P11712 1/20 0.48
JAK3 P52333 2/20 0.47
MAP4K4 O95819 2/20 0.46
GAA P10253 1/20 0.46
EPHX1 P07099 2/20 0.44
DRD2 P14416 2/20 0.44
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL2729991 1.00 CA1 (0.63) CA1CA2CTSKBTKHSD11B1
SCHEMBL12440607 1.00 CA1 (0.63) CA1CA2CTSKBTKHSD11B1
SCHEMBL359644 0.90 CTSK (0.64) CA1CA2CTSKBTKHSD11B1
SCHEMBL428907 0.90 CTSK (0.64) CA1CA2CTSKBTKHSD11B1
SCHEMBL1959133 0.90 CTSK (0.64) CA1CA2CTSKBTKHSD11B1
Hydrochloric Acid SCHEMBL27630477 0.89 CTSK (0.62) CA1CA2CTSKBTKHSD11B1
SCHEMBL17793196 0.88 CA1 (0.56) CA1CA2CTSKBTKHSD11B1
SCHEMBL16528671 0.85 CTSK (0.58) CA1CA2CTSKBTKHSD11B1
SCHEMBL18035253 0.85 CTSK (0.58) CA1CA2CTSKBTKHSD11B1
SCHEMBL24476884 0.84 CA1 (0.63) CA1CA2CTSKBTKHSD11B1

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
EP-3805214-B1 JAK3 SELECTIVE INHIBITOR UNIV PEKING SHENZHEN GRADUATE SCHOOL (CN) 2023-07-05 EP disclosed
US-20230047589-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2023-02-16 US disclosed
US-11230542-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2022-01-25 US disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2016-10-13 US disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (7 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 CA1 371/4885CA2 827/4885CTSK 1630/4885
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 CA1 4715/4885CA2 3229/4885CTSK 1597/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 CA1 3012/4885CA2 3302/4885CTSK 3631/4885
US-11230542-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 CA1 4637/4885CA2 4269/4885CTSK 3839/4885
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 CA1 4715/4885CA2 3229/4885CTSK 1597/4885
US-20230047589-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 CA1 4637/4885CA2 4269/4885CTSK 3839/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 CA1 70/4885CA2 76/4885CTSK 1406/4885

“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.