SCHEMBL4367475

SCHEMBL4367475

CC(C)(C)OC(=O)N(N)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD11B1 P28845 1/20 0.34
GPR119 Q8TDV5 6/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
DGAT1 O75907 1/20 0.30
GAA P10253 1/20 0.30
DPP4 P27487 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
SCHEMBL9964560 0.94 BTK (0.37) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL574102 0.92 BTK (0.36) CHRM2CHRM1CHRM3HSD11B1NFKB1
SCHEMBL871258 0.90 GAA (0.37) CHRM2CHRM1CHRM3HSD11B1NFKB1
SCHEMBL6262075 0.89 BTK (0.39) HSD11B1BTK
SCHEMBL6424027 0.88 PLG (0.38) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL15021681 0.87 SLC6A4 (0.32) CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1783229 0.87 USP2 (0.39) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL27821583 0.86 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD11B1
SCHEMBL1128903 0.83 HPGD (0.50) HSD11B1GPR119HPGD
SCHEMBL2595519 0.83 ALDH1A1 (0.45) HSD11B1NFKB1NFKB2RELAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503647-A Preparation method of cyclopropylhydrazine hydrochloride SUZHOU HIGHFINE BIOTECH CO LTD 2016-04-20 CN claimed
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
US-11479555-B2 Substituted 1,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-ones as inhibitors of WEE-1 kinase NEWAVE PHARMACEUTICAL INC. (US) 2022-10-25 US disclosed
US-11440914-B2 Tricyclic amine compounds as CDK2 inhibitors INCYTE CORPORATION (US) 2022-09-13 US disclosed
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 US disclosed
CN-110475777-B Novel pyrido [2,3-b ] indole compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2022-04-15 CN disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 US disclosed
EP-3952875-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2022-02-16 EP disclosed
US-20210061807-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE NEWAVE PHARMACEUTICAL INC. 2021-03-04 US disclosed
CN-101253155-A 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 HOFFMANN LA ROCHE (CH) 2008-08-27 CN disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 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-11299493-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, NME1 CHRM2 4875/4885CHRM1 4854/4885CHRM3 4880/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CHRM2 4875/4885CHRM1 4854/4885CHRM3 4880/4885
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 CHRM2 4488/4885CHRM1 4658/4885CHRM3 4480/4885
US-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B CHRM2 1100/4885CHRM1 691/4885CHRM3 547/4885
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CHRM2 4875/4885CHRM1 4854/4885CHRM3 4880/4885
US-20210061807-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE WEE1, WEE2, PEAK1 CHRM2 3739/4885CHRM1 2827/4885CHRM3 4380/4885
US-11479555-B2 Substituted 1,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-ones as inhibitors of WEE-1 kinase WEE1, WEE2, PHKG1 CHRM2 3906/4885CHRM1 3173/4885CHRM3 4468/4885
US-11440914-B2 Tricyclic amine compounds as CDK2 inhibitors CDK2, CDK1, CCNI CHRM2 3607/4885CHRM1 3945/4885CHRM3 3884/4885

“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.