SCHEMBL142226

SCHEMBL142226

CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.38
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
RORC P51449 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PREP P48147 2/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.31
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL1924787 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL5153017 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL376697 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL5203966 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL77478 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL6491588 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3949211 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3679572 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL4769152 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL15913256 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-04-20 US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
EP-4089080-A1 RORyT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
WO-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 US disclosed
US-10633381-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-04-28 US disclosed
WO-2009010804-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-01-22 WO disclosed
US-7304081-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2007-12-04 US disclosed
US-7279584-B2 Method for production of cis-4-fluoro-L-proline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 US disclosed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 US disclosed
US-20060281927-A1 Process for production of cis-4-fluoro-l-proline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
US-20050282858-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-22 US disclosed
US-6855708-B2 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-02-15 US disclosed
US-6552016-B1 For inhibiting aberrant growth states resulting from hedgehog gain- of-function, ptc loss-of-function or smoothened gain-of-function comprising contacting the cell with a hedgehog antagonist, such as a small molecule CURIS, INC. 2003-04-22 US disclosed
US-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2003-01-09 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 (11 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-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS CHRM2 4880/4885CHRM1 4874/4885CHRM3 4879/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CHRM2 4880/4885CHRM1 4874/4885CHRM3 4879/4885
US-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR CHRM2 3284/4885CHRM1 2748/4885CHRM3 3405/4885
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A CHRM2 181/4885CHRM1 112/4885CHRM3 255/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS CHRM2 4880/4885CHRM1 4874/4885CHRM3 4879/4885
US-20050282858-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 CHRM2 3175/4885CHRM1 2365/4885CHRM3 2500/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CHRM2 4880/4885CHRM1 4874/4885CHRM3 4879/4885
US-20060281927-A1 Process for production of cis-4-fluoro-l-proline derivatives PRAP1, P4HA1, SLC6A7 CHRM2 3769/4885CHRM1 2830/4885CHRM3 4285/4885
US-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors VCAM1, CD4, ITGA4 CHRM2 897/4885CHRM1 586/4885CHRM3 1189/4885
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA CHRM2 4683/4885CHRM1 4646/4885CHRM3 3863/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CHRM2 4880/4885CHRM1 4874/4885CHRM3 4879/4885

“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.