SCHEMBL651147

SCHEMBL651147

CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H]1COS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
HSD17B10 Q99714 1/20 0.36
KLK7 P49862 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL28960535 1.00 HCRTR2 (0.38) HCRTR2HSD17B10KLK7CHRM2CHRM1
SCHEMBL31240058 0.87 HCRTR2 (0.37) HCRTR2HSD17B10KLK7CHRM2CHRM1
SCHEMBL31239798 0.86 MEN1 (0.38) HCRTR2HSD17B10KLK7CHRM2CHRM1
SCHEMBL13415923 0.85 HCRTR2 (0.40) HCRTR2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL4467745 0.84 HCRTR2 (0.36) HCRTR2CHRM2CHRM1CHRM3GPR119
SCHEMBL1179063 0.84 HCRTR2 (0.39) HCRTR2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL1420674 0.84 HCRTR2 (0.39) HCRTR2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL30064942 0.82
SCHEMBL3572674 0.82
SCHEMBL489371 0.81 NR1H2 (0.39) HCRTR2HSD17B10CHRM2CHRM1CHRM3

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
US-20240228510-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS, INC 2024-07-11 US disclosed
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR SHANGHAI KECHOW PHARMA, INC. (CN) 2024-04-04 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
CN-116648452-A Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-08-25 CN disclosed
CN-116194456-A Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-05-30 CN disclosed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
CN-113999226-B Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-01-06 CN disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
CN-113999226-A Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2022-02-01 CN disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US 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 (5 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-20240228510-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HCRTR2 4635/4885HSD17B10 3878/4885KLK7 3023/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS HCRTR2 4631/4885HSD17B10 3889/4885KLK7 3026/4885
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE HCRTR2 24/4885HSD17B10 1082/4885KLK7 3938/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 HCRTR2 382/4885HSD17B10 1520/4885KLK7 1806/4885
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR KRAS, NRAS, HRAS HCRTR2 4855/4885HSD17B10 3631/4885KLK7 3054/4885

“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.