SCHEMBL3338925

SCHEMBL3338925

CC(C)(C)OC(=O)N1CC[C@H]2NC[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL3336534 1.00 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL927569 1.00 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3HPGD
Hydrochloric Acid SCHEMBL31160941 0.98 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL14196132 0.86 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL17910814 0.86 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL13944523 0.86 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL19063648 0.86 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL14196131 0.86 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL15943084 0.83 CHRM2 (0.40) HSD17B10CHRM2CHRM1CHRM3USP2
SCHEMBL21012791 0.83 CHRM2 (0.40) HSD17B10CHRM2CHRM1CHRM3USP2

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 19 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-4322945-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-02-21 EP 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
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US 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
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-2022221528-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-20 WO disclosed
WO-2022002102-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-01-06 WO disclosed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US disclosed
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2018-11-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 HSD17B10 3878/4885CHRM2 4880/4885CHRM1 4874/4885
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 HSD17B10 2741/4885CHRM2 87/4885CHRM1 31/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 HSD17B10 2741/4885CHRM2 87/4885CHRM1 31/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS HSD17B10 3889/4885CHRM2 4880/4885CHRM1 4874/4885
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 HSD17B10 1082/4885CHRM2 18/4885CHRM1 20/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS HSD17B10 3398/4885CHRM2 4366/4885CHRM1 4285/4885
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR KRAS, NRAS, HRAS HSD17B10 3631/4885CHRM2 4737/4885CHRM1 4306/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU HSD17B10 2701/4885CHRM2 62/4885CHRM1 20/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HSD17B10 3889/4885CHRM2 4880/4885CHRM1 4874/4885

“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.