SCHEMBL1976580

SCHEMBL1976580

CC1CCC(O)(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD11B1 P28845 2/20 0.33
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL12045776 0.85 CYP2C9 (0.36) CYP2C9CYP2C19HSD11B1
SCHEMBL26906347 0.81 TSHR (0.33) HSD11B1
SCHEMBL25450437 0.79 CYP2C9 (0.46) CYP2C9CYP2C19KDM4EPKM
SCHEMBL18641717 0.79 CYP2C9 (0.46) CYP2C9CYP2C19KDM4EPKM
SCHEMBL18014675 0.78 TRPA1 (0.36) CYP2C9CYP2C19HSD11B1
SCHEMBL19381562 0.77
SCHEMBL1543318 0.77
SCHEMBL19321812 0.77 CYP2C9 (0.44) CYP2C9CYP2C19KDM4E
SCHEMBL18987847 0.77
SCHEMBL18987850 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023078398-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-11 WO disclosed
EP-3782994-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology, Inc. (US) 2021-02-24 EP disclosed
EP-3390395-B1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY INC (US) 2020-09-09 EP disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
WO-2017103611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS REDX PHARMA PLC (GB) 2017-06-22 WO disclosed
US-9676783-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds ARRAY BIOPHARMA, INC. (US) 2017-06-13 US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057121-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 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 (8 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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 CYP2C9 1619/4885CYP2C19 891/4885HSD11B1 2617/4885
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A CYP2C9 780/4885CYP2C19 603/4885HSD11B1 200/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A CYP2C9 780/4885CYP2C19 603/4885HSD11B1 200/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A CYP2C9 780/4885CYP2C19 603/4885HSD11B1 200/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CYP2C9 439/4885CYP2C19 355/4885HSD11B1 1004/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A CYP2C9 812/4885CYP2C19 848/4885HSD11B1 101/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D CYP2C9 288/4885CYP2C19 602/4885HSD11B1 1809/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP2C9 857/4885CYP2C19 800/4885HSD11B1 85/4885

“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.