SCHEMBL41973

SCHEMBL41973

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C=C(OS(=O)(=O)C(F)(F)F)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD11B1 P28845 1/20 0.41
PREP P48147 4/20 0.37
WDR5 P61964 2/20 0.35
GPR119 Q8TDV5 7/20 0.34
STS P08842 2/20 0.34
MMP13 P45452 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
SCHEMBL16783751 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL29336 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL2147759 0.93 HSD11B1 (0.37) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL12537944 0.88 HSD11B1 (0.38) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL3144755 0.87 CXCR3 (0.41) CHRM1
SCHEMBL2450689 0.86 DRD2 (0.31)
SCHEMBL15437682 0.85 HSD11B1 (0.41) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL28946 0.85 HSD11B1 (0.34) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL2147628 0.85 HSD11B1 (0.34) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL15437681 0.85 HSD11B1 (0.41) CHRM2CHRM1CHRM3HSD11B1PREP

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 CN disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 US disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8901142-B2 Fused tricyclic compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-19 US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 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 (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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR CHRM2 4884/4885CHRM1 4881/4885CHRM3 4882/4885
US-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHRM2 4885/4885CHRM1 4880/4885CHRM3 4882/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 CHRM2 249/4885CHRM1 23/4885CHRM3 1041/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 CHRM2 4537/4885CHRM1 4308/4885CHRM3 4828/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 CHRM2 4434/4885CHRM1 4239/4885CHRM3 4734/4885

“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.