SCHEMBL43652

SCHEMBL43652

CC(C)(C)OC(=O)N1CC2CCC(=O)C2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
LIPE Q05469 2/20 0.49
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
USP30 Q70CQ3 1/20 0.42
RORC P51449 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PDE4B Q07343 1/20 0.40
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5938227 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL22784207 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL43653 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL29560774 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL29965040 0.93 LIPE (0.45) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL14239659 0.91 NR1H2 (0.48) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL1692080 0.91 NR1H2 (0.48) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL5940329 0.86 NR1H2 (0.54) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL5938643 0.86 NR1H2 (0.54) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL14239632 0.84 NR1H2 (0.52) NR1H2LIPEDDB1CRBNUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119156393-A Cyclic compound, preparation method and medical application thereof 翰森生物有限责任公司 2024-12-17 CN disclosed
EP-3703680-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2024-05-15 EP disclosed
WO-2023208005-A1 CYCLIC COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC (US) 2023-11-02 WO disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-11352344-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-06-07 US disclosed
US-11352344-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-06-07 US disclosed
EP-3773552-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-02-17 EP disclosed
US-20200339547-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-10-29 US disclosed
US-20100261773-A1 3.3.0 BICYCLIC GlyT1 INHIBITORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2010-10-14 US disclosed
US-20100261773-A1 3.3.0 BICYCLIC GlyT1 INHIBITORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2010-10-14 US disclosed
US-20100261773-A1 3.3.0 BICYCLIC GlyT1 INHIBITORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2010-10-14 US disclosed
WO-2010068851-A1 3.3.0 BICYCLIC GLYT1 INHIBITORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSTIY (US) 2010-06-17 WO disclosed
EP-1796663-A4 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2009-08-05 EP disclosed
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators BENNANI YOUSSEF L 2009-03-12 US disclosed
US-7423056-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2008-09-09 US disclosed
EP-1796663-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-06-20 EP disclosed
US-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. 2006-04-13 US disclosed
WO-2006028961-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-03-16 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-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A NR1H2 981/4885LIPE 922/4885DDB1 4119/4885
US-20100261773-A1 3.3.0 BICYCLIC GlyT1 INHIBITORS AND METHODS OF MAKING AND USING SAME SLC7A1, SLC1A1, SLC5A1 NR1H2 1235/4885LIPE 2526/4885DDB1 1674/4885
US-20200339547-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885LIPE 1959/4885DDB1 4071/4885
US-11352344-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 NR1H2 341/4885LIPE 2068/4885DDB1 4093/4885
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A NR1H2 981/4885LIPE 922/4885DDB1 4119/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 NR1H2 417/4885LIPE 1956/4885DDB1 3049/4885
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES MLLT1, BMI1, MEN1 NR1H2 3177/4885LIPE 3833/4885DDB1 775/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 NR1H2 417/4885LIPE 1956/4885DDB1 3049/4885

“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.