SCHEMBL2078744

SCHEMBL2078744

CC(C)(C)OC(=O)N1CC2CC(=O)CC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
AR P10275 1/20 0.38
NR1H2 P55055 1/20 0.38
EPHX2 P34913 1/20 0.37
PARP1 P09874 1/20 0.36
CCR2 P41597 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL22077875 0.87 HSD11B1 (0.42) HSD11B1CHRM2CHRM1CHRM3KDM4E
SCHEMBL22077646 0.86 CHRM2 (0.43) HSD11B1CHRM2CHRM1CHRM3KDM4E
SCHEMBL18714318 0.85 HSD11B1 (0.34) HSD11B1
SCHEMBL18049747 0.85 HSD11B1 (0.39) HSD11B1CHRM2CHRM1CHRM3KDM4E
SCHEMBL20941851 0.84 TSHR (0.43) HSD11B1MAPK1
SCHEMBL19583627 0.83 CHRM2 (0.47) HSD11B1CHRM2CHRM1CHRM3F13A1
SCHEMBL24267206 0.83 HSD11B1 (0.43) HSD11B1CHRM2CHRM1CHRM3KDM4E
SCHEMBL17101264 0.81 ALDH1A1 (0.36) CYP1A2POLBCYP3A4CYP2C19
SCHEMBL30968052 0.81 HSD11B1 (0.39) HSD11B1CHRM2CHRM1CHRM3KDM4E
SCHEMBL12526945 0.79 CHRM2 (0.51) HSD11B1CHRM2CHRM1CHRM3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
EP-3638658-B1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-10-08 EP disclosed
US-12202843-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2025-01-21 US disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed
EP-4430036-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2024-09-18 EP disclosed
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-02-17 US disclosed
US-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders TARGACEPT, INC. (US) 2008-10-02 US disclosed
US-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders TARGACEPT, INC. (US) 2008-10-02 US disclosed
US-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders TARGACEPT, INC. (US) 2008-10-02 US disclosed
US-7402592-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2008-07-22 US disclosed
US-7402592-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2008-07-22 US disclosed
US-7402592-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2008-07-22 US disclosed
EP-1678172-A2 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS Targacept, Inc. (US) 2006-07-12 EP disclosed
WO-2005037832-A9 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS 2006-01-26 WO disclosed
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-12-22 US disclosed
WO-2005037832-A2 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-04-28 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-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders OPRL1, OPRK1, COMT HSD11B1 147/4885CHRM2 167/4885CHRM1 125/4885
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 HSD11B1 1844/4885CHRM2 2/4885CHRM1 1/4885
US-12202843-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 HSD11B1 1844/4885CHRM2 2/4885CHRM1 1/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT HSD11B1 147/4885CHRM2 167/4885CHRM1 125/4885

“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.