SCHEMBL4815544

SCHEMBL4815544

CC(C)(C)OC(=O)N1CCc2cc(C=O)sc2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
NR1H2 P55055 1/20 0.52
ADORA1 P30542 2/20 0.49
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.41
GRAMD1A Q96CP6 1/20 0.40
MKNK1 Q9BUB5 8/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL30460276 0.92 ESR2 (0.46) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL2923721 0.90 ESR2 (0.53) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL31486552 0.88 HDAC1 (0.44) ESR2NR1H2ADORA1MAPTKDM4E
SCHEMBL24215792 0.86 ESR2 (0.50) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL13985779 0.84 ESR2 (0.55) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL31173359 0.83 ESR2 (0.47) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL27141410 0.83 HDAC6 (0.58) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL986037 0.83 ESR2 (0.54) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL6747877 0.83 ESR2 (0.46) ESR2NR1H2ADORA1HDAC6MAPT
SCHEMBL976244 0.82 ADORA1 (0.55) ESR2NR1H2ADORA1HDAC6MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692057-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2026-02-11 EP disclosed
US-20260001849-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-01-01 US disclosed
WO-2024210198-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2024-10-10 WO disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
WO-2022013728-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-01-20 WO disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 ESR2 776/4885NR1H2 301/4885ADORA1 400/4885
US-20260001849-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT ESR2 2699/4885NR1H2 1727/4885ADORA1 1507/4885
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 ESR2 3660/4885NR1H2 407/4885ADORA1 3394/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 ESR2 2618/4885NR1H2 4313/4885ADORA1 4273/4885

“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.